data_25685 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25685 _Entry.Title ; Structure of the Transmembrane Electron Transporter CcdA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-01 _Entry.Accession_date 2015-07-01 _Entry.Last_release_date 2015-09-02 _Entry.Original_release_date 2015-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Target of the MPSbyNMR consortium of PSI-Biology' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 James Chou . J. . 25685 2 Jessica Williamson . A. . 25685 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Membrane Protein Structures by NMR' . 25685 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ccda . 25685 'dsbd homolog' . 25685 'transmembrane electron transporter' . 25685 'transmembrane reductase' . 25685 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25685 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 451 25685 '15N chemical shifts' 156 25685 '1H chemical shifts' 158 25685 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-09-02 . original BMRB . 25685 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N4X 'BMRB Entry Tracking System' 25685 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 25685 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR Structure of the Transmembrane Electron Transporter CcdA ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jessica Williamson . A. . 25685 1 2 Seung-Hyung Cho . . . 25685 1 3 Jiqing Ye . . . 25685 1 4 Jean-Francois Collet . . . 25685 1 5 Jonathan Beckwith . R. . 25685 1 6 James Chou . J. . 25685 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25685 _Assembly.ID 1 _Assembly.Name 'Transmembrane Electron Transporter CcdA' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $CcdA A . yes native no no . . . 25685 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CcdA _Entity.Sf_category entity _Entity.Sf_framecode CcdA _Entity.Entry_ID 25685 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CcdA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSTSQEQPTAQLMAFALGIL SVFSPAVLPVVPLIFAGSRG RALDAFLIVAGLTISMLILG YTASLFFGFFRVVAMLFLLI FALILLSDELDEKVSIFASR MTSGLSWKIQTLPSFFFGML LAFLWLPAILPFAGIAISQT LLSENPLVMLSYGLGMAVTI AAVFKMGEKFVKANFQLIRK VTGAIVLLYLAYFALTEVLL LEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 1, Q 2, L 3, M 4, A 5, F ; _Entity.Polymer_author_seq_details ; Residues 1-10 represent a non-native sequence left over from protease cleavage that removed the N-terminal DsbD fusion protein. The C-terminal HHHHHH is a non-native affinity tag used for purification. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 208 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation 'C16 and C118 in the native sequence have been mutated to Ala.' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20955.492 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no GB AAB90190 . "cytochrome C-type biogenesis protein (ccdA) [Archaeoglobus fulgidus DSM 4304]" . . . . . 90.87 190 98.94 98.94 7.93e-123 . . . . 25685 1 2 no GB AIG97935 . "Cytochrome c biogenesis protein [Archaeoglobus fulgidus DSM 8774]" . . . . . 90.87 193 98.94 98.94 5.68e-123 . . . . 25685 1 3 no REF WP_048064325 . "hypothetical protein [Archaeoglobus fulgidus]" . . . . . 90.87 193 98.94 98.94 5.68e-123 . . . . 25685 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -9 GLY . 25685 1 2 -8 SER . 25685 1 3 -7 THR . 25685 1 4 -6 SER . 25685 1 5 -5 GLN . 25685 1 6 -4 GLU . 25685 1 7 -3 GLN . 25685 1 8 -2 PRO . 25685 1 9 -1 THR . 25685 1 10 0 ALA . 25685 1 11 1 GLN . 25685 1 12 2 LEU . 25685 1 13 3 MET . 25685 1 14 4 ALA . 25685 1 15 5 PHE . 25685 1 16 6 ALA . 25685 1 17 7 LEU . 25685 1 18 8 GLY . 25685 1 19 9 ILE . 25685 1 20 10 LEU . 25685 1 21 11 SER . 25685 1 22 12 VAL . 25685 1 23 13 PHE . 25685 1 24 14 SER . 25685 1 25 15 PRO . 25685 1 26 16 ALA . 25685 1 27 17 VAL . 25685 1 28 18 LEU . 25685 1 29 19 PRO . 25685 1 30 20 VAL . 25685 1 31 21 VAL . 25685 1 32 22 PRO . 25685 1 33 23 LEU . 25685 1 34 24 ILE . 25685 1 35 25 PHE . 25685 1 36 26 ALA . 25685 1 37 27 GLY . 25685 1 38 28 SER . 25685 1 39 29 ARG . 25685 1 40 30 GLY . 25685 1 41 31 ARG . 25685 1 42 32 ALA . 25685 1 43 33 LEU . 25685 1 44 34 ASP . 25685 1 45 35 ALA . 25685 1 46 36 PHE . 25685 1 47 37 LEU . 25685 1 48 38 ILE . 25685 1 49 39 VAL . 25685 1 50 40 ALA . 25685 1 51 41 GLY . 25685 1 52 42 LEU . 25685 1 53 43 THR . 25685 1 54 44 ILE . 25685 1 55 45 SER . 25685 1 56 46 MET . 25685 1 57 47 LEU . 25685 1 58 48 ILE . 25685 1 59 49 LEU . 25685 1 60 50 GLY . 25685 1 61 51 TYR . 25685 1 62 52 THR . 25685 1 63 53 ALA . 25685 1 64 54 SER . 25685 1 65 55 LEU . 25685 1 66 56 PHE . 25685 1 67 57 PHE . 25685 1 68 58 GLY . 25685 1 69 59 PHE . 25685 1 70 60 PHE . 25685 1 71 61 ARG . 25685 1 72 62 VAL . 25685 1 73 63 VAL . 25685 1 74 64 ALA . 25685 1 75 65 MET . 25685 1 76 66 LEU . 25685 1 77 67 PHE . 25685 1 78 68 LEU . 25685 1 79 69 LEU . 25685 1 80 70 ILE . 25685 1 81 71 PHE . 25685 1 82 72 ALA . 25685 1 83 73 LEU . 25685 1 84 74 ILE . 25685 1 85 75 LEU . 25685 1 86 76 LEU . 25685 1 87 77 SER . 25685 1 88 78 ASP . 25685 1 89 79 GLU . 25685 1 90 80 LEU . 25685 1 91 81 ASP . 25685 1 92 82 GLU . 25685 1 93 83 LYS . 25685 1 94 84 VAL . 25685 1 95 85 SER . 25685 1 96 86 ILE . 25685 1 97 87 PHE . 25685 1 98 88 ALA . 25685 1 99 89 SER . 25685 1 100 90 ARG . 25685 1 101 91 MET . 25685 1 102 92 THR . 25685 1 103 93 SER . 25685 1 104 94 GLY . 25685 1 105 95 LEU . 25685 1 106 96 SER . 25685 1 107 97 TRP . 25685 1 108 98 LYS . 25685 1 109 99 ILE . 25685 1 110 100 GLN . 25685 1 111 101 THR . 25685 1 112 102 LEU . 25685 1 113 103 PRO . 25685 1 114 104 SER . 25685 1 115 105 PHE . 25685 1 116 106 PHE . 25685 1 117 107 PHE . 25685 1 118 108 GLY . 25685 1 119 109 MET . 25685 1 120 110 LEU . 25685 1 121 111 LEU . 25685 1 122 112 ALA . 25685 1 123 113 PHE . 25685 1 124 114 LEU . 25685 1 125 115 TRP . 25685 1 126 116 LEU . 25685 1 127 117 PRO . 25685 1 128 118 ALA . 25685 1 129 119 ILE . 25685 1 130 120 LEU . 25685 1 131 121 PRO . 25685 1 132 122 PHE . 25685 1 133 123 ALA . 25685 1 134 124 GLY . 25685 1 135 125 ILE . 25685 1 136 126 ALA . 25685 1 137 127 ILE . 25685 1 138 128 SER . 25685 1 139 129 GLN . 25685 1 140 130 THR . 25685 1 141 131 LEU . 25685 1 142 132 LEU . 25685 1 143 133 SER . 25685 1 144 134 GLU . 25685 1 145 135 ASN . 25685 1 146 136 PRO . 25685 1 147 137 LEU . 25685 1 148 138 VAL . 25685 1 149 139 MET . 25685 1 150 140 LEU . 25685 1 151 141 SER . 25685 1 152 142 TYR . 25685 1 153 143 GLY . 25685 1 154 144 LEU . 25685 1 155 145 GLY . 25685 1 156 146 MET . 25685 1 157 147 ALA . 25685 1 158 148 VAL . 25685 1 159 149 THR . 25685 1 160 150 ILE . 25685 1 161 151 ALA . 25685 1 162 152 ALA . 25685 1 163 153 VAL . 25685 1 164 154 PHE . 25685 1 165 155 LYS . 25685 1 166 156 MET . 25685 1 167 157 GLY . 25685 1 168 158 GLU . 25685 1 169 159 LYS . 25685 1 170 160 PHE . 25685 1 171 161 VAL . 25685 1 172 162 LYS . 25685 1 173 163 ALA . 25685 1 174 164 ASN . 25685 1 175 165 PHE . 25685 1 176 166 GLN . 25685 1 177 167 LEU . 25685 1 178 168 ILE . 25685 1 179 169 ARG . 25685 1 180 170 LYS . 25685 1 181 171 VAL . 25685 1 182 172 THR . 25685 1 183 173 GLY . 25685 1 184 174 ALA . 25685 1 185 175 ILE . 25685 1 186 176 VAL . 25685 1 187 177 LEU . 25685 1 188 178 LEU . 25685 1 189 179 TYR . 25685 1 190 180 LEU . 25685 1 191 181 ALA . 25685 1 192 182 TYR . 25685 1 193 183 PHE . 25685 1 194 184 ALA . 25685 1 195 185 LEU . 25685 1 196 186 THR . 25685 1 197 187 GLU . 25685 1 198 188 VAL . 25685 1 199 189 LEU . 25685 1 200 190 LEU . 25685 1 201 191 LEU . 25685 1 202 192 GLU . 25685 1 203 193 HIS . 25685 1 204 194 HIS . 25685 1 205 195 HIS . 25685 1 206 196 HIS . 25685 1 207 197 HIS . 25685 1 208 198 HIS . 25685 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25685 1 . SER 2 2 25685 1 . THR 3 3 25685 1 . SER 4 4 25685 1 . GLN 5 5 25685 1 . GLU 6 6 25685 1 . GLN 7 7 25685 1 . PRO 8 8 25685 1 . THR 9 9 25685 1 . ALA 10 10 25685 1 . GLN 11 11 25685 1 . LEU 12 12 25685 1 . MET 13 13 25685 1 . ALA 14 14 25685 1 . PHE 15 15 25685 1 . ALA 16 16 25685 1 . LEU 17 17 25685 1 . GLY 18 18 25685 1 . ILE 19 19 25685 1 . LEU 20 20 25685 1 . SER 21 21 25685 1 . VAL 22 22 25685 1 . PHE 23 23 25685 1 . SER 24 24 25685 1 . PRO 25 25 25685 1 . ALA 26 26 25685 1 . VAL 27 27 25685 1 . LEU 28 28 25685 1 . PRO 29 29 25685 1 . VAL 30 30 25685 1 . VAL 31 31 25685 1 . PRO 32 32 25685 1 . LEU 33 33 25685 1 . ILE 34 34 25685 1 . PHE 35 35 25685 1 . ALA 36 36 25685 1 . GLY 37 37 25685 1 . SER 38 38 25685 1 . ARG 39 39 25685 1 . GLY 40 40 25685 1 . ARG 41 41 25685 1 . ALA 42 42 25685 1 . LEU 43 43 25685 1 . ASP 44 44 25685 1 . ALA 45 45 25685 1 . PHE 46 46 25685 1 . LEU 47 47 25685 1 . ILE 48 48 25685 1 . VAL 49 49 25685 1 . ALA 50 50 25685 1 . GLY 51 51 25685 1 . LEU 52 52 25685 1 . THR 53 53 25685 1 . ILE 54 54 25685 1 . SER 55 55 25685 1 . MET 56 56 25685 1 . LEU 57 57 25685 1 . ILE 58 58 25685 1 . LEU 59 59 25685 1 . GLY 60 60 25685 1 . TYR 61 61 25685 1 . THR 62 62 25685 1 . ALA 63 63 25685 1 . SER 64 64 25685 1 . LEU 65 65 25685 1 . PHE 66 66 25685 1 . PHE 67 67 25685 1 . GLY 68 68 25685 1 . PHE 69 69 25685 1 . PHE 70 70 25685 1 . ARG 71 71 25685 1 . VAL 72 72 25685 1 . VAL 73 73 25685 1 . ALA 74 74 25685 1 . MET 75 75 25685 1 . LEU 76 76 25685 1 . PHE 77 77 25685 1 . LEU 78 78 25685 1 . LEU 79 79 25685 1 . ILE 80 80 25685 1 . PHE 81 81 25685 1 . ALA 82 82 25685 1 . LEU 83 83 25685 1 . ILE 84 84 25685 1 . LEU 85 85 25685 1 . LEU 86 86 25685 1 . SER 87 87 25685 1 . ASP 88 88 25685 1 . GLU 89 89 25685 1 . LEU 90 90 25685 1 . ASP 91 91 25685 1 . GLU 92 92 25685 1 . LYS 93 93 25685 1 . VAL 94 94 25685 1 . SER 95 95 25685 1 . ILE 96 96 25685 1 . PHE 97 97 25685 1 . ALA 98 98 25685 1 . SER 99 99 25685 1 . ARG 100 100 25685 1 . MET 101 101 25685 1 . THR 102 102 25685 1 . SER 103 103 25685 1 . GLY 104 104 25685 1 . LEU 105 105 25685 1 . SER 106 106 25685 1 . TRP 107 107 25685 1 . LYS 108 108 25685 1 . ILE 109 109 25685 1 . GLN 110 110 25685 1 . THR 111 111 25685 1 . LEU 112 112 25685 1 . PRO 113 113 25685 1 . SER 114 114 25685 1 . PHE 115 115 25685 1 . PHE 116 116 25685 1 . PHE 117 117 25685 1 . GLY 118 118 25685 1 . MET 119 119 25685 1 . LEU 120 120 25685 1 . LEU 121 121 25685 1 . ALA 122 122 25685 1 . PHE 123 123 25685 1 . LEU 124 124 25685 1 . TRP 125 125 25685 1 . LEU 126 126 25685 1 . PRO 127 127 25685 1 . ALA 128 128 25685 1 . ILE 129 129 25685 1 . LEU 130 130 25685 1 . PRO 131 131 25685 1 . PHE 132 132 25685 1 . ALA 133 133 25685 1 . GLY 134 134 25685 1 . ILE 135 135 25685 1 . ALA 136 136 25685 1 . ILE 137 137 25685 1 . SER 138 138 25685 1 . GLN 139 139 25685 1 . THR 140 140 25685 1 . LEU 141 141 25685 1 . LEU 142 142 25685 1 . SER 143 143 25685 1 . GLU 144 144 25685 1 . ASN 145 145 25685 1 . PRO 146 146 25685 1 . LEU 147 147 25685 1 . VAL 148 148 25685 1 . MET 149 149 25685 1 . LEU 150 150 25685 1 . SER 151 151 25685 1 . TYR 152 152 25685 1 . GLY 153 153 25685 1 . LEU 154 154 25685 1 . GLY 155 155 25685 1 . MET 156 156 25685 1 . ALA 157 157 25685 1 . VAL 158 158 25685 1 . THR 159 159 25685 1 . ILE 160 160 25685 1 . ALA 161 161 25685 1 . ALA 162 162 25685 1 . VAL 163 163 25685 1 . PHE 164 164 25685 1 . LYS 165 165 25685 1 . MET 166 166 25685 1 . GLY 167 167 25685 1 . GLU 168 168 25685 1 . LYS 169 169 25685 1 . PHE 170 170 25685 1 . VAL 171 171 25685 1 . LYS 172 172 25685 1 . ALA 173 173 25685 1 . ASN 174 174 25685 1 . PHE 175 175 25685 1 . GLN 176 176 25685 1 . LEU 177 177 25685 1 . ILE 178 178 25685 1 . ARG 179 179 25685 1 . LYS 180 180 25685 1 . VAL 181 181 25685 1 . THR 182 182 25685 1 . GLY 183 183 25685 1 . ALA 184 184 25685 1 . ILE 185 185 25685 1 . VAL 186 186 25685 1 . LEU 187 187 25685 1 . LEU 188 188 25685 1 . TYR 189 189 25685 1 . LEU 190 190 25685 1 . ALA 191 191 25685 1 . TYR 192 192 25685 1 . PHE 193 193 25685 1 . ALA 194 194 25685 1 . LEU 195 195 25685 1 . THR 196 196 25685 1 . GLU 197 197 25685 1 . VAL 198 198 25685 1 . LEU 199 199 25685 1 . LEU 200 200 25685 1 . LEU 201 201 25685 1 . GLU 202 202 25685 1 . HIS 203 203 25685 1 . HIS 204 204 25685 1 . HIS 205 205 25685 1 . HIS 206 206 25685 1 . HIS 207 207 25685 1 . HIS 208 208 25685 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25685 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CcdA . 2234 organism . 'Archaeoglobus fulgidus' euryarchaeotes . . Archaea . Archaeoglobus fulgidus . . . . . . . . . . . . . 25685 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25685 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CcdA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli SEN212 . . . . . pSC124 . . . 25685 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25685 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The sample contains ~100 mM Foscholine-12 (DPC) as membrane mimetic for the membrane protein' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CcdA '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $CcdA . . 0.8 . . mM 0.2 . . . 25685 1 2 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 25685 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 1 . . . 25685 1 4 dodecylphosphocholine 'natural abundance' . . . . . . 100 . . mM 10 . . . 25685 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25685 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25685 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25685 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The sample contains ~100 mM Foscholine-12 (DPC) as membrane mimetic for the membrane protein' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CcdA '[U-100% 13C; U-100% 15N]' . . 1 $CcdA . . 0.8 . . mM 0.2 . . . 25685 2 2 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 25685 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 1 . . . 25685 2 4 dodecylphosphocholine '[U-99% 2H]' . . . . . . 100 . . mM 10 . . . 25685 2 5 H2O 'natural abundance' . . . . . . 95 . . % 10 . . . 25685 2 6 D2O 'natural abundance' . . . . . . 5 . . % 10 . . . 25685 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25685 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Used for all NMR measurements' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 0.05 M 25685 1 pH 6 0.1 pH 25685 1 pressure 1 . atm 25685 1 temperature 273 . K 25685 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 25685 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version 2.38 _Software.Details 'Used for structure calculation' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 25685 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25685 1 'structure solution' 25685 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25685 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details 'Used for NMR data processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25685 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25685 2 processing 25685 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25685 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details 'Used for NMR data collection' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25685 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25685 3 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 25685 _Software.ID 4 _Software.Name CCPNMR _Software.Version . _Software.Details 'Used for backbone assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25685 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25685 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 25685 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details 'Used for assigning NOEs' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 25685 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25685 5 'data analysis' 25685 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25685 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Used for collecting triple resonance spectra' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25685 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Used for collecting NOE spectra' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25685 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'Used for collecting triple resonance spectra' . . 25685 1 2 spectrometer_2 Bruker Avance . 800 'Used for collecting NOE spectra' . . 25685 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25685 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25685 1 2 '3D TROSY HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25685 1 3 '3D TROSY HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25685 1 4 '3D TROSY HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25685 1 5 '3D TROSY HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25685 1 6 '3D TROSY HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25685 1 7 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25685 1 8 '3D 15N-edited NOESY TROSY-HSQC (60 ms mix time)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25685 1 9 '3D 15N-edited NOESY TROSY-HSQC (120 ms mix time)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25685 1 10 '3D 13C-edited Methyl NOESY (150 ms mix time)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25685 1 11 '4D double 15N-edited NOESY (200 ms mix time)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25685 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_ref_1 _Chem_shift_reference.Entry_ID 25685 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na 'methyl carbon' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 25685 1 H 1 TMS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 25685 1 N 15 na nitrogen . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 25685 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_CcdA_reduced _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_CcdA_reduced _Assigned_chem_shift_list.Entry_ID 25685 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_ref_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D TROSY HNCA' . . . 25685 1 2 '3D TROSY HN(CO)CA' . . . 25685 1 3 '3D TROSY HN(CA)CO' . . . 25685 1 4 '3D TROSY HNCO' . . . 25685 1 5 '3D TROSY HNCACB' . . . 25685 1 6 '4D double 15N-edited NOESY (200 ms mix time)' . . . 25685 1 7 '3D 15N-edited NOESY TROSY-HSQC (60 ms mix time)' . . . 25685 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 14 14 ALA H H 1 7.977 0.006 . 1 . . . A 4 ALA H . 25685 1 2 . 1 1 14 14 ALA C C 13 177.632 0.000 . 1 . . . A 4 ALA C . 25685 1 3 . 1 1 14 14 ALA CA C 13 55.117 0.001 . 1 . . . A 4 ALA CA . 25685 1 4 . 1 1 14 14 ALA CB C 13 18.448 0.000 . 1 . . . A 4 ALA CB . 25685 1 5 . 1 1 14 14 ALA N N 15 121.533 0.053 . 1 . . . A 4 ALA N . 25685 1 6 . 1 1 15 15 PHE H H 1 8.210 0.007 . 1 . . . A 5 PHE H . 25685 1 7 . 1 1 15 15 PHE CA C 13 60.759 0.000 . 1 . . . A 5 PHE CA . 25685 1 8 . 1 1 15 15 PHE CB C 13 39.221 0.000 . 1 . . . A 5 PHE CB . 25685 1 9 . 1 1 15 15 PHE N N 15 119.988 0.016 . 1 . . . A 5 PHE N . 25685 1 10 . 1 1 16 16 ALA H H 1 8.417 0.004 . 1 . . . A 6 ALA H . 25685 1 11 . 1 1 16 16 ALA C C 13 179.794 0.000 . 1 . . . A 6 ALA C . 25685 1 12 . 1 1 16 16 ALA CA C 13 55.619 0.000 . 1 . . . A 6 ALA CA . 25685 1 13 . 1 1 16 16 ALA CB C 13 17.911 0.000 . 1 . . . A 6 ALA CB . 25685 1 14 . 1 1 17 17 LEU H H 1 8.741 0.014 . 1 . . . A 7 LEU H . 25685 1 15 . 1 1 17 17 LEU C C 13 180.196 0.038 . 1 . . . A 7 LEU C . 25685 1 16 . 1 1 17 17 LEU CA C 13 57.528 0.102 . 1 . . . A 7 LEU CA . 25685 1 17 . 1 1 17 17 LEU CB C 13 40.060 0.000 . 1 . . . A 7 LEU CB . 25685 1 18 . 1 1 17 17 LEU N N 15 115.852 0.032 . 1 . . . A 7 LEU N . 25685 1 19 . 1 1 18 18 GLY H H 1 8.179 0.008 . 1 . . . A 8 GLY H . 25685 1 20 . 1 1 18 18 GLY C C 13 176.430 0.010 . 1 . . . A 8 GLY C . 25685 1 21 . 1 1 18 18 GLY CA C 13 46.960 0.079 . 1 . . . A 8 GLY CA . 25685 1 22 . 1 1 18 18 GLY N N 15 110.199 0.047 . 1 . . . A 8 GLY N . 25685 1 23 . 1 1 19 19 ILE H H 1 7.788 0.004 . 1 . . . A 9 ILE H . 25685 1 24 . 1 1 19 19 ILE C C 13 178.143 0.004 . 1 . . . A 9 ILE C . 25685 1 25 . 1 1 19 19 ILE CA C 13 65.048 0.006 . 1 . . . A 9 ILE CA . 25685 1 26 . 1 1 19 19 ILE CB C 13 36.841 0.000 . 1 . . . A 9 ILE CB . 25685 1 27 . 1 1 19 19 ILE N N 15 122.346 0.023 . 1 . . . A 9 ILE N . 25685 1 28 . 1 1 20 20 LEU H H 1 8.044 0.006 . 1 . . . A 10 LEU H . 25685 1 29 . 1 1 20 20 LEU C C 13 179.501 0.024 . 1 . . . A 10 LEU C . 25685 1 30 . 1 1 20 20 LEU CA C 13 58.068 0.059 . 1 . . . A 10 LEU CA . 25685 1 31 . 1 1 20 20 LEU CB C 13 40.776 0.000 . 1 . . . A 10 LEU CB . 25685 1 32 . 1 1 20 20 LEU N N 15 117.560 0.039 . 1 . . . A 10 LEU N . 25685 1 33 . 1 1 21 21 SER H H 1 8.140 0.008 . 1 . . . A 11 SER H . 25685 1 34 . 1 1 21 21 SER CA C 13 61.769 0.015 . 1 . . . A 11 SER CA . 25685 1 35 . 1 1 21 21 SER CB C 13 63.395 0.000 . 1 . . . A 11 SER CB . 25685 1 36 . 1 1 21 21 SER N N 15 113.830 0.026 . 1 . . . A 11 SER N . 25685 1 37 . 1 1 22 22 VAL H H 1 7.587 0.008 . 1 . . . A 12 VAL H . 25685 1 38 . 1 1 22 22 VAL C C 13 176.753 0.028 . 1 . . . A 12 VAL C . 25685 1 39 . 1 1 22 22 VAL CA C 13 64.583 0.000 . 1 . . . A 12 VAL CA . 25685 1 40 . 1 1 22 22 VAL CB C 13 31.067 0.000 . 1 . . . A 12 VAL CB . 25685 1 41 . 1 1 22 22 VAL N N 15 121.343 0.039 . 1 . . . A 12 VAL N . 25685 1 42 . 1 1 23 23 PHE H H 1 7.474 0.008 . 1 . . . A 13 PHE H . 25685 1 43 . 1 1 23 23 PHE C C 13 177.349 0.035 . 1 . . . A 13 PHE C . 25685 1 44 . 1 1 23 23 PHE CA C 13 58.730 0.047 . 1 . . . A 13 PHE CA . 25685 1 45 . 1 1 23 23 PHE CB C 13 39.785 0.000 . 1 . . . A 13 PHE CB . 25685 1 46 . 1 1 23 23 PHE N N 15 115.225 0.034 . 1 . . . A 13 PHE N . 25685 1 47 . 1 1 24 24 SER H H 1 7.955 0.008 . 1 . . . A 14 SER H . 25685 1 48 . 1 1 24 24 SER N N 15 116.075 0.042 . 1 . . . A 14 SER N . 25685 1 49 . 1 1 25 25 PRO C C 13 177.590 0.000 . 1 . . . A 15 PRO C . 25685 1 50 . 1 1 25 25 PRO CA C 13 65.464 0.000 . 1 . . . A 15 PRO CA . 25685 1 51 . 1 1 26 26 ALA H H 1 7.455 0.011 . 1 . . . A 16 ALA H . 25685 1 52 . 1 1 26 26 ALA C C 13 177.563 0.000 . 1 . . . A 16 ALA C . 25685 1 53 . 1 1 26 26 ALA CA C 13 53.010 0.058 . 1 . . . A 16 ALA CA . 25685 1 54 . 1 1 26 26 ALA CB C 13 19.975 0.000 . 1 . . . A 16 ALA CB . 25685 1 55 . 1 1 26 26 ALA N N 15 116.288 0.028 . 1 . . . A 16 ALA N . 25685 1 56 . 1 1 27 27 VAL H H 1 7.525 0.007 . 1 . . . A 17 VAL H . 25685 1 57 . 1 1 27 27 VAL CA C 13 63.117 0.012 . 1 . . . A 17 VAL CA . 25685 1 58 . 1 1 27 27 VAL CB C 13 33.209 0.000 . 1 . . . A 17 VAL CB . 25685 1 59 . 1 1 27 27 VAL N N 15 112.072 0.025 . 1 . . . A 17 VAL N . 25685 1 60 . 1 1 28 28 LEU H H 1 8.191 0.006 . 1 . . . A 18 LEU H . 25685 1 61 . 1 1 28 28 LEU CA C 13 58.971 0.000 . 1 . . . A 18 LEU CA . 25685 1 62 . 1 1 28 28 LEU CB C 13 41.161 0.000 . 1 . . . A 18 LEU CB . 25685 1 63 . 1 1 28 28 LEU N N 15 121.205 0.014 . 1 . . . A 18 LEU N . 25685 1 64 . 1 1 29 29 PRO C C 13 177.697 0.000 . 1 . . . A 19 PRO C . 25685 1 65 . 1 1 29 29 PRO CA C 13 65.181 0.000 . 1 . . . A 19 PRO CA . 25685 1 66 . 1 1 30 30 VAL H H 1 7.571 0.004 . 1 . . . A 20 VAL H . 25685 1 67 . 1 1 30 30 VAL C C 13 177.137 0.000 . 1 . . . A 20 VAL C . 25685 1 68 . 1 1 30 30 VAL CA C 13 62.494 0.007 . 1 . . . A 20 VAL CA . 25685 1 69 . 1 1 30 30 VAL CB C 13 31.677 0.000 . 1 . . . A 20 VAL CB . 25685 1 70 . 1 1 30 30 VAL N N 15 111.723 0.030 . 1 . . . A 20 VAL N . 25685 1 71 . 1 1 31 31 VAL H H 1 7.732 0.004 . 1 . . . A 21 VAL H . 25685 1 72 . 1 1 31 31 VAL CA C 13 68.305 0.000 . 1 . . . A 21 VAL CA . 25685 1 73 . 1 1 31 31 VAL N N 15 121.705 0.009 . 1 . . . A 21 VAL N . 25685 1 74 . 1 1 34 34 ILE C C 13 174.359 0.000 . 1 . . . A 24 ILE C . 25685 1 75 . 1 1 35 35 PHE H H 1 8.082 0.000 . 1 . . . A 25 PHE H . 25685 1 76 . 1 1 35 35 PHE C C 13 175.945 0.000 . 1 . . . A 25 PHE C . 25685 1 77 . 1 1 35 35 PHE CA C 13 60.544 0.000 . 1 . . . A 25 PHE CA . 25685 1 78 . 1 1 35 35 PHE N N 15 120.132 0.021 . 1 . . . A 25 PHE N . 25685 1 79 . 1 1 36 36 ALA H H 1 7.539 0.000 . 1 . . . A 26 ALA H . 25685 1 80 . 1 1 36 36 ALA CB C 13 19.784 0.000 . 1 . . . A 26 ALA CB . 25685 1 81 . 1 1 36 36 ALA N N 15 121.341 0.033 . 1 . . . A 26 ALA N . 25685 1 82 . 1 1 37 37 GLY H H 1 7.997 0.011 . 1 . . . A 27 GLY H . 25685 1 83 . 1 1 37 37 GLY C C 13 174.252 0.009 . 1 . . . A 27 GLY C . 25685 1 84 . 1 1 37 37 GLY CA C 13 45.474 0.061 . 1 . . . A 27 GLY CA . 25685 1 85 . 1 1 37 37 GLY N N 15 107.530 0.039 . 1 . . . A 27 GLY N . 25685 1 86 . 1 1 38 38 SER H H 1 8.115 0.004 . 1 . . . A 28 SER H . 25685 1 87 . 1 1 38 38 SER C C 13 175.759 0.000 . 1 . . . A 28 SER C . 25685 1 88 . 1 1 38 38 SER CA C 13 58.526 0.000 . 1 . . . A 28 SER CA . 25685 1 89 . 1 1 38 38 SER CB C 13 64.373 0.000 . 1 . . . A 28 SER CB . 25685 1 90 . 1 1 38 38 SER N N 15 116.299 0.057 . 1 . . . A 28 SER N . 25685 1 91 . 1 1 44 44 ASP C C 13 177.621 0.000 . 1 . . . A 34 ASP C . 25685 1 92 . 1 1 44 44 ASP CA C 13 57.082 0.059 . 1 . . . A 34 ASP CA . 25685 1 93 . 1 1 45 45 ALA H H 1 8.090 0.008 . 1 . . . A 35 ALA H . 25685 1 94 . 1 1 45 45 ALA C C 13 179.168 0.016 . 1 . . . A 35 ALA C . 25685 1 95 . 1 1 45 45 ALA CA C 13 55.459 0.056 . 1 . . . A 35 ALA CA . 25685 1 96 . 1 1 45 45 ALA CB C 13 18.819 0.000 . 1 . . . A 35 ALA CB . 25685 1 97 . 1 1 45 45 ALA N N 15 120.662 0.050 . 1 . . . A 35 ALA N . 25685 1 98 . 1 1 46 46 PHE H H 1 8.227 0.005 . 1 . . . A 36 PHE H . 25685 1 99 . 1 1 46 46 PHE C C 13 177.057 0.040 . 1 . . . A 36 PHE C . 25685 1 100 . 1 1 46 46 PHE CA C 13 61.472 0.041 . 1 . . . A 36 PHE CA . 25685 1 101 . 1 1 46 46 PHE CB C 13 38.860 0.000 . 1 . . . A 36 PHE CB . 25685 1 102 . 1 1 46 46 PHE N N 15 117.638 0.028 . 1 . . . A 36 PHE N . 25685 1 103 . 1 1 47 47 LEU H H 1 8.588 0.009 . 1 . . . A 37 LEU H . 25685 1 104 . 1 1 47 47 LEU C C 13 179.798 0.021 . 1 . . . A 37 LEU C . 25685 1 105 . 1 1 47 47 LEU CA C 13 58.181 0.014 . 1 . . . A 37 LEU CA . 25685 1 106 . 1 1 47 47 LEU CB C 13 40.835 0.000 . 1 . . . A 37 LEU CB . 25685 1 107 . 1 1 47 47 LEU N N 15 119.312 0.021 . 1 . . . A 37 LEU N . 25685 1 108 . 1 1 48 48 ILE H H 1 7.932 0.004 . 1 . . . A 38 ILE H . 25685 1 109 . 1 1 48 48 ILE C C 13 177.597 0.000 . 1 . . . A 38 ILE C . 25685 1 110 . 1 1 48 48 ILE CA C 13 64.827 0.009 . 1 . . . A 38 ILE CA . 25685 1 111 . 1 1 48 48 ILE CB C 13 36.321 0.000 . 1 . . . A 38 ILE CB . 25685 1 112 . 1 1 48 48 ILE N N 15 119.057 0.086 . 1 . . . A 38 ILE N . 25685 1 113 . 1 1 49 49 VAL H H 1 7.922 0.006 . 1 . . . A 39 VAL H . 25685 1 114 . 1 1 49 49 VAL C C 13 179.533 0.010 . 1 . . . A 39 VAL C . 25685 1 115 . 1 1 49 49 VAL CA C 13 66.687 0.016 . 1 . . . A 39 VAL CA . 25685 1 116 . 1 1 49 49 VAL CB C 13 30.598 0.006 . 1 . . . A 39 VAL CB . 25685 1 117 . 1 1 49 49 VAL N N 15 118.758 0.007 . 1 . . . A 39 VAL N . 25685 1 118 . 1 1 50 50 ALA H H 1 9.091 0.009 . 1 . . . A 40 ALA H . 25685 1 119 . 1 1 50 50 ALA C C 13 179.200 0.026 . 1 . . . A 40 ALA C . 25685 1 120 . 1 1 50 50 ALA CA C 13 55.283 0.043 . 1 . . . A 40 ALA CA . 25685 1 121 . 1 1 50 50 ALA CB C 13 17.197 0.000 . 1 . . . A 40 ALA CB . 25685 1 122 . 1 1 50 50 ALA N N 15 125.385 0.082 . 1 . . . A 40 ALA N . 25685 1 123 . 1 1 51 51 GLY H H 1 8.565 0.009 . 1 . . . A 41 GLY H . 25685 1 124 . 1 1 51 51 GLY C C 13 176.171 0.001 . 1 . . . A 41 GLY C . 25685 1 125 . 1 1 51 51 GLY CA C 13 47.322 0.082 . 1 . . . A 41 GLY CA . 25685 1 126 . 1 1 51 51 GLY N N 15 106.978 0.041 . 1 . . . A 41 GLY N . 25685 1 127 . 1 1 52 52 LEU H H 1 8.573 0.007 . 1 . . . A 42 LEU H . 25685 1 128 . 1 1 52 52 LEU C C 13 178.119 0.000 . 1 . . . A 42 LEU C . 25685 1 129 . 1 1 52 52 LEU CA C 13 58.523 0.000 . 1 . . . A 42 LEU CA . 25685 1 130 . 1 1 52 52 LEU CB C 13 42.125 0.000 . 1 . . . A 42 LEU CB . 25685 1 131 . 1 1 52 52 LEU N N 15 126.914 0.121 . 1 . . . A 42 LEU N . 25685 1 132 . 1 1 56 56 MET H H 1 8.589 0.009 . 1 . . . A 46 MET H . 25685 1 133 . 1 1 56 56 MET C C 13 179.540 0.003 . 1 . . . A 46 MET C . 25685 1 134 . 1 1 56 56 MET CA C 13 55.968 0.044 . 1 . . . A 46 MET CA . 25685 1 135 . 1 1 56 56 MET N N 15 121.710 0.043 . 1 . . . A 46 MET N . 25685 1 136 . 1 1 57 57 LEU H H 1 8.769 0.010 . 1 . . . A 47 LEU H . 25685 1 137 . 1 1 57 57 LEU HA H 1 3.992 0.000 . 1 . . . A 47 LEU HA . 25685 1 138 . 1 1 57 57 LEU C C 13 179.082 0.008 . 1 . . . A 47 LEU C . 25685 1 139 . 1 1 57 57 LEU CA C 13 58.157 0.051 . 1 . . . A 47 LEU CA . 25685 1 140 . 1 1 57 57 LEU CB C 13 41.858 0.000 . 1 . . . A 47 LEU CB . 25685 1 141 . 1 1 57 57 LEU N N 15 117.448 0.034 . 1 . . . A 47 LEU N . 25685 1 142 . 1 1 58 58 ILE H H 1 8.093 0.011 . 1 . . . A 48 ILE H . 25685 1 143 . 1 1 58 58 ILE C C 13 180.298 0.000 . 1 . . . A 48 ILE C . 25685 1 144 . 1 1 58 58 ILE CA C 13 65.627 0.036 . 1 . . . A 48 ILE CA . 25685 1 145 . 1 1 58 58 ILE CB C 13 37.839 0.000 . 1 . . . A 48 ILE CB . 25685 1 146 . 1 1 58 58 ILE N N 15 117.500 0.037 . 1 . . . A 48 ILE N . 25685 1 147 . 1 1 59 59 LEU H H 1 8.833 0.008 . 1 . . . A 49 LEU H . 25685 1 148 . 1 1 59 59 LEU C C 13 179.721 0.021 . 1 . . . A 49 LEU C . 25685 1 149 . 1 1 59 59 LEU CA C 13 58.788 0.062 . 1 . . . A 49 LEU CA . 25685 1 150 . 1 1 59 59 LEU CB C 13 40.761 0.000 . 1 . . . A 49 LEU CB . 25685 1 151 . 1 1 59 59 LEU N N 15 123.708 0.061 . 1 . . . A 49 LEU N . 25685 1 152 . 1 1 60 60 GLY H H 1 9.658 0.011 . 1 . . . A 50 GLY H . 25685 1 153 . 1 1 60 60 GLY C C 13 176.937 0.010 . 1 . . . A 50 GLY C . 25685 1 154 . 1 1 60 60 GLY CA C 13 47.821 0.086 . 1 . . . A 50 GLY CA . 25685 1 155 . 1 1 60 60 GLY N N 15 109.284 0.044 . 1 . . . A 50 GLY N . 25685 1 156 . 1 1 61 61 TYR H H 1 8.795 0.007 . 1 . . . A 51 TYR H . 25685 1 157 . 1 1 61 61 TYR C C 13 177.102 0.027 . 1 . . . A 51 TYR C . 25685 1 158 . 1 1 61 61 TYR CA C 13 61.948 0.090 . 1 . . . A 51 TYR CA . 25685 1 159 . 1 1 61 61 TYR CB C 13 38.871 0.000 . 1 . . . A 51 TYR CB . 25685 1 160 . 1 1 61 61 TYR N N 15 125.640 0.035 . 1 . . . A 51 TYR N . 25685 1 161 . 1 1 62 62 THR H H 1 8.456 0.009 . 1 . . . A 52 THR H . 25685 1 162 . 1 1 62 62 THR C C 13 176.969 0.000 . 1 . . . A 52 THR C . 25685 1 163 . 1 1 62 62 THR CA C 13 67.972 0.000 . 1 . . . A 52 THR CA . 25685 1 164 . 1 1 62 62 THR N N 15 116.273 0.028 . 1 . . . A 52 THR N . 25685 1 165 . 1 1 63 63 ALA H H 1 9.058 0.006 . 1 . . . A 53 ALA H . 25685 1 166 . 1 1 63 63 ALA C C 13 179.907 0.015 . 1 . . . A 53 ALA C . 25685 1 167 . 1 1 63 63 ALA CA C 13 55.722 0.032 . 1 . . . A 53 ALA CA . 25685 1 168 . 1 1 63 63 ALA CB C 13 18.786 0.000 . 1 . . . A 53 ALA CB . 25685 1 169 . 1 1 63 63 ALA N N 15 122.122 0.038 . 1 . . . A 53 ALA N . 25685 1 170 . 1 1 64 64 SER H H 1 8.040 0.009 . 1 . . . A 54 SER H . 25685 1 171 . 1 1 64 64 SER C C 13 176.433 0.001 . 1 . . . A 54 SER C . 25685 1 172 . 1 1 64 64 SER CA C 13 55.828 0.001 . 1 . . . A 54 SER CA . 25685 1 173 . 1 1 64 64 SER N N 15 115.434 0.020 . 1 . . . A 54 SER N . 25685 1 174 . 1 1 65 65 LEU H H 1 8.255 0.004 . 1 . . . A 55 LEU H . 25685 1 175 . 1 1 65 65 LEU C C 13 178.789 0.024 . 1 . . . A 55 LEU C . 25685 1 176 . 1 1 65 65 LEU CA C 13 57.633 0.036 . 1 . . . A 55 LEU CA . 25685 1 177 . 1 1 65 65 LEU CB C 13 41.293 0.000 . 1 . . . A 55 LEU CB . 25685 1 178 . 1 1 65 65 LEU N N 15 123.045 0.031 . 1 . . . A 55 LEU N . 25685 1 179 . 1 1 66 66 PHE H H 1 7.590 0.007 . 1 . . . A 56 PHE H . 25685 1 180 . 1 1 66 66 PHE C C 13 177.507 0.011 . 1 . . . A 56 PHE C . 25685 1 181 . 1 1 66 66 PHE CA C 13 61.068 0.024 . 1 . . . A 56 PHE CA . 25685 1 182 . 1 1 66 66 PHE CB C 13 40.107 0.000 . 1 . . . A 56 PHE CB . 25685 1 183 . 1 1 66 66 PHE N N 15 114.426 0.034 . 1 . . . A 56 PHE N . 25685 1 184 . 1 1 67 67 PHE H H 1 8.514 0.005 . 1 . . . A 57 PHE H . 25685 1 185 . 1 1 67 67 PHE C C 13 176.203 0.037 . 1 . . . A 57 PHE C . 25685 1 186 . 1 1 67 67 PHE CA C 13 58.503 0.055 . 1 . . . A 57 PHE CA . 25685 1 187 . 1 1 67 67 PHE CB C 13 41.114 0.000 . 1 . . . A 57 PHE CB . 25685 1 188 . 1 1 67 67 PHE N N 15 114.701 0.037 . 1 . . . A 57 PHE N . 25685 1 189 . 1 1 68 68 GLY H H 1 7.998 0.007 . 1 . . . A 58 GLY H . 25685 1 190 . 1 1 68 68 GLY C C 13 174.240 0.007 . 1 . . . A 58 GLY C . 25685 1 191 . 1 1 68 68 GLY CA C 13 44.827 0.089 . 1 . . . A 58 GLY CA . 25685 1 192 . 1 1 68 68 GLY N N 15 111.041 0.034 . 1 . . . A 58 GLY N . 25685 1 193 . 1 1 69 69 PHE H H 1 9.105 0.010 . 1 . . . A 59 PHE H . 25685 1 194 . 1 1 69 69 PHE C C 13 176.612 0.000 . 1 . . . A 59 PHE C . 25685 1 195 . 1 1 69 69 PHE CA C 13 61.598 0.027 . 1 . . . A 59 PHE CA . 25685 1 196 . 1 1 69 69 PHE CB C 13 40.870 0.000 . 1 . . . A 59 PHE CB . 25685 1 197 . 1 1 69 69 PHE N N 15 127.950 0.095 . 1 . . . A 59 PHE N . 25685 1 198 . 1 1 70 70 PHE H H 1 8.796 0.005 . 1 . . . A 60 PHE H . 25685 1 199 . 1 1 70 70 PHE C C 13 177.989 0.023 . 1 . . . A 60 PHE C . 25685 1 200 . 1 1 70 70 PHE CA C 13 61.517 0.009 . 1 . . . A 60 PHE CA . 25685 1 201 . 1 1 70 70 PHE CB C 13 38.248 0.000 . 1 . . . A 60 PHE CB . 25685 1 202 . 1 1 70 70 PHE N N 15 114.868 0.025 . 1 . . . A 60 PHE N . 25685 1 203 . 1 1 71 71 ARG H H 1 7.600 0.005 . 1 . . . A 61 ARG H . 25685 1 204 . 1 1 71 71 ARG C C 13 177.813 0.011 . 1 . . . A 61 ARG C . 25685 1 205 . 1 1 71 71 ARG CA C 13 60.497 0.091 . 1 . . . A 61 ARG CA . 25685 1 206 . 1 1 71 71 ARG CB C 13 28.915 0.000 . 1 . . . A 61 ARG CB . 25685 1 207 . 1 1 71 71 ARG N N 15 118.812 0.047 . 1 . . . A 61 ARG N . 25685 1 208 . 1 1 72 72 VAL H H 1 7.679 0.003 . 1 . . . A 62 VAL H . 25685 1 209 . 1 1 72 72 VAL C C 13 177.670 0.000 . 1 . . . A 62 VAL C . 25685 1 210 . 1 1 72 72 VAL CA C 13 66.749 0.050 . 1 . . . A 62 VAL CA . 25685 1 211 . 1 1 72 72 VAL CB C 13 30.306 0.000 . 1 . . . A 62 VAL CB . 25685 1 212 . 1 1 72 72 VAL N N 15 119.157 0.040 . 1 . . . A 62 VAL N . 25685 1 213 . 1 1 73 73 VAL H H 1 7.429 0.010 . 1 . . . A 63 VAL H . 25685 1 214 . 1 1 73 73 VAL C C 13 177.639 0.004 . 1 . . . A 63 VAL C . 25685 1 215 . 1 1 73 73 VAL CA C 13 66.836 0.003 . 1 . . . A 63 VAL CA . 25685 1 216 . 1 1 73 73 VAL CB C 13 30.496 0.000 . 1 . . . A 63 VAL CB . 25685 1 217 . 1 1 73 73 VAL N N 15 117.999 0.043 . 1 . . . A 63 VAL N . 25685 1 218 . 1 1 74 74 ALA H H 1 8.169 0.007 . 1 . . . A 64 ALA H . 25685 1 219 . 1 1 74 74 ALA C C 13 179.134 0.006 . 1 . . . A 64 ALA C . 25685 1 220 . 1 1 74 74 ALA CA C 13 55.618 0.061 . 1 . . . A 64 ALA CA . 25685 1 221 . 1 1 74 74 ALA CB C 13 17.950 0.000 . 1 . . . A 64 ALA CB . 25685 1 222 . 1 1 74 74 ALA N N 15 120.451 0.058 . 1 . . . A 64 ALA N . 25685 1 223 . 1 1 75 75 MET H H 1 7.857 0.006 . 1 . . . A 65 MET H . 25685 1 224 . 1 1 75 75 MET C C 13 177.961 0.000 . 1 . . . A 65 MET C . 25685 1 225 . 1 1 75 75 MET CA C 13 58.161 0.000 . 1 . . . A 65 MET CA . 25685 1 226 . 1 1 75 75 MET CB C 13 31.208 0.000 . 1 . . . A 65 MET CB . 25685 1 227 . 1 1 75 75 MET N N 15 116.532 0.043 . 1 . . . A 65 MET N . 25685 1 228 . 1 1 76 76 LEU C C 13 179.022 0.000 . 1 . . . A 66 LEU C . 25685 1 229 . 1 1 76 76 LEU CA C 13 58.412 0.000 . 1 . . . A 66 LEU CA . 25685 1 230 . 1 1 77 77 PHE H H 1 7.923 0.004 . 1 . . . A 67 PHE H . 25685 1 231 . 1 1 77 77 PHE C C 13 177.908 0.003 . 1 . . . A 67 PHE C . 25685 1 232 . 1 1 77 77 PHE CA C 13 62.402 0.025 . 1 . . . A 67 PHE CA . 25685 1 233 . 1 1 77 77 PHE CB C 13 39.203 0.000 . 1 . . . A 67 PHE CB . 25685 1 234 . 1 1 77 77 PHE N N 15 116.877 0.031 . 1 . . . A 67 PHE N . 25685 1 235 . 1 1 78 78 LEU H H 1 8.167 0.006 . 1 . . . A 68 LEU H . 25685 1 236 . 1 1 78 78 LEU C C 13 179.032 0.000 . 1 . . . A 68 LEU C . 25685 1 237 . 1 1 78 78 LEU CA C 13 58.397 0.000 . 1 . . . A 68 LEU CA . 25685 1 238 . 1 1 78 78 LEU CB C 13 40.803 0.000 . 1 . . . A 68 LEU CB . 25685 1 239 . 1 1 78 78 LEU N N 15 118.860 0.074 . 1 . . . A 68 LEU N . 25685 1 240 . 1 1 81 81 PHE H H 1 7.847 0.001 . 1 . . . A 71 PHE H . 25685 1 241 . 1 1 81 81 PHE C C 13 177.670 0.011 . 1 . . . A 71 PHE C . 25685 1 242 . 1 1 81 81 PHE CA C 13 60.528 0.000 . 1 . . . A 71 PHE CA . 25685 1 243 . 1 1 81 81 PHE N N 15 120.700 0.003 . 1 . . . A 71 PHE N . 25685 1 244 . 1 1 82 82 ALA H H 1 8.533 0.007 . 1 . . . A 72 ALA H . 25685 1 245 . 1 1 82 82 ALA C C 13 178.944 0.008 . 1 . . . A 72 ALA C . 25685 1 246 . 1 1 82 82 ALA CA C 13 55.461 0.034 . 1 . . . A 72 ALA CA . 25685 1 247 . 1 1 82 82 ALA CB C 13 17.829 0.000 . 1 . . . A 72 ALA CB . 25685 1 248 . 1 1 82 82 ALA N N 15 120.506 0.047 . 1 . . . A 72 ALA N . 25685 1 249 . 1 1 83 83 LEU H H 1 8.458 0.006 . 1 . . . A 73 LEU H . 25685 1 250 . 1 1 83 83 LEU C C 13 180.831 0.008 . 1 . . . A 73 LEU C . 25685 1 251 . 1 1 83 83 LEU CA C 13 58.091 0.046 . 1 . . . A 73 LEU CA . 25685 1 252 . 1 1 83 83 LEU CB C 13 41.082 0.000 . 1 . . . A 73 LEU CB . 25685 1 253 . 1 1 83 83 LEU N N 15 115.071 0.029 . 1 . . . A 73 LEU N . 25685 1 254 . 1 1 84 84 ILE H H 1 8.220 0.009 . 1 . . . A 74 ILE H . 25685 1 255 . 1 1 84 84 ILE C C 13 178.287 0.012 . 1 . . . A 74 ILE C . 25685 1 256 . 1 1 84 84 ILE CA C 13 65.335 0.037 . 1 . . . A 74 ILE CA . 25685 1 257 . 1 1 84 84 ILE CB C 13 37.453 0.000 . 1 . . . A 74 ILE CB . 25685 1 258 . 1 1 84 84 ILE N N 15 121.365 0.038 . 1 . . . A 74 ILE N . 25685 1 259 . 1 1 85 85 LEU H H 1 7.866 0.014 . 1 . . . A 75 LEU H . 25685 1 260 . 1 1 85 85 LEU C C 13 177.548 0.024 . 1 . . . A 75 LEU C . 25685 1 261 . 1 1 85 85 LEU CA C 13 56.938 0.047 . 1 . . . A 75 LEU CA . 25685 1 262 . 1 1 85 85 LEU CB C 13 41.541 0.000 . 1 . . . A 75 LEU CB . 25685 1 263 . 1 1 85 85 LEU N N 15 119.200 0.031 . 1 . . . A 75 LEU N . 25685 1 264 . 1 1 86 86 LEU H H 1 7.432 0.004 . 1 . . . A 76 LEU H . 25685 1 265 . 1 1 86 86 LEU C C 13 176.889 0.016 . 1 . . . A 76 LEU C . 25685 1 266 . 1 1 86 86 LEU CA C 13 54.807 0.042 . 1 . . . A 76 LEU CA . 25685 1 267 . 1 1 86 86 LEU CB C 13 41.830 0.018 . 1 . . . A 76 LEU CB . 25685 1 268 . 1 1 86 86 LEU N N 15 116.338 0.032 . 1 . . . A 76 LEU N . 25685 1 269 . 1 1 87 87 SER H H 1 7.423 0.002 . 1 . . . A 77 SER H . 25685 1 270 . 1 1 87 87 SER C C 13 174.752 0.008 . 1 . . . A 77 SER C . 25685 1 271 . 1 1 87 87 SER CA C 13 58.967 0.018 . 1 . . . A 77 SER CA . 25685 1 272 . 1 1 87 87 SER CB C 13 64.686 0.000 . 1 . . . A 77 SER CB . 25685 1 273 . 1 1 87 87 SER N N 15 114.630 0.035 . 1 . . . A 77 SER N . 25685 1 274 . 1 1 88 88 ASP H H 1 8.294 0.005 . 1 . . . A 78 ASP H . 25685 1 275 . 1 1 88 88 ASP C C 13 176.716 0.022 . 1 . . . A 78 ASP C . 25685 1 276 . 1 1 88 88 ASP CA C 13 54.848 0.031 . 1 . . . A 78 ASP CA . 25685 1 277 . 1 1 88 88 ASP CB C 13 40.423 0.100 . 1 . . . A 78 ASP CB . 25685 1 278 . 1 1 88 88 ASP N N 15 123.054 0.018 . 1 . . . A 78 ASP N . 25685 1 279 . 1 1 89 89 GLU H H 1 8.384 0.005 . 1 . . . A 79 GLU H . 25685 1 280 . 1 1 89 89 GLU C C 13 176.391 0.013 . 1 . . . A 79 GLU C . 25685 1 281 . 1 1 89 89 GLU CA C 13 56.258 0.013 . 1 . . . A 79 GLU CA . 25685 1 282 . 1 1 89 89 GLU CB C 13 29.656 0.056 . 1 . . . A 79 GLU CB . 25685 1 283 . 1 1 89 89 GLU N N 15 119.104 0.019 . 1 . . . A 79 GLU N . 25685 1 284 . 1 1 90 90 LEU H H 1 7.637 0.009 . 1 . . . A 80 LEU H . 25685 1 285 . 1 1 90 90 LEU C C 13 177.164 0.016 . 1 . . . A 80 LEU C . 25685 1 286 . 1 1 90 90 LEU CA C 13 54.670 0.000 . 1 . . . A 80 LEU CA . 25685 1 287 . 1 1 90 90 LEU CB C 13 42.633 0.000 . 1 . . . A 80 LEU CB . 25685 1 288 . 1 1 90 90 LEU N N 15 121.254 0.042 . 1 . . . A 80 LEU N . 25685 1 289 . 1 1 91 91 ASP H H 1 8.403 0.014 . 1 . . . A 81 ASP H . 25685 1 290 . 1 1 91 91 ASP C C 13 177.552 0.013 . 1 . . . A 81 ASP C . 25685 1 291 . 1 1 91 91 ASP CA C 13 55.110 0.041 . 1 . . . A 81 ASP CA . 25685 1 292 . 1 1 91 91 ASP CB C 13 42.693 0.000 . 1 . . . A 81 ASP CB . 25685 1 293 . 1 1 91 91 ASP N N 15 123.410 0.122 . 1 . . . A 81 ASP N . 25685 1 294 . 1 1 92 92 GLU H H 1 8.744 0.018 . 1 . . . A 82 GLU H . 25685 1 295 . 1 1 92 92 GLU C C 13 178.198 0.018 . 1 . . . A 82 GLU C . 25685 1 296 . 1 1 92 92 GLU CA C 13 59.221 0.018 . 1 . . . A 82 GLU CA . 25685 1 297 . 1 1 92 92 GLU CB C 13 29.176 0.000 . 1 . . . A 82 GLU CB . 25685 1 298 . 1 1 92 92 GLU N N 15 125.047 0.141 . 1 . . . A 82 GLU N . 25685 1 299 . 1 1 93 93 LYS H H 1 8.607 0.018 . 1 . . . A 83 LYS H . 25685 1 300 . 1 1 93 93 LYS C C 13 179.356 0.010 . 1 . . . A 83 LYS C . 25685 1 301 . 1 1 93 93 LYS CA C 13 59.170 0.030 . 1 . . . A 83 LYS CA . 25685 1 302 . 1 1 93 93 LYS CB C 13 31.509 0.000 . 1 . . . A 83 LYS CB . 25685 1 303 . 1 1 93 93 LYS N N 15 118.476 0.023 . 1 . . . A 83 LYS N . 25685 1 304 . 1 1 94 94 VAL H H 1 7.870 0.004 . 1 . . . A 84 VAL H . 25685 1 305 . 1 1 94 94 VAL C C 13 177.653 0.018 . 1 . . . A 84 VAL C . 25685 1 306 . 1 1 94 94 VAL CA C 13 65.416 0.059 . 1 . . . A 84 VAL CA . 25685 1 307 . 1 1 94 94 VAL CB C 13 31.313 0.000 . 1 . . . A 84 VAL CB . 25685 1 308 . 1 1 94 94 VAL N N 15 118.407 0.046 . 1 . . . A 84 VAL N . 25685 1 309 . 1 1 95 95 SER H H 1 8.083 0.004 . 1 . . . A 85 SER H . 25685 1 310 . 1 1 95 95 SER C C 13 177.496 0.016 . 1 . . . A 85 SER C . 25685 1 311 . 1 1 95 95 SER CA C 13 61.764 0.033 . 1 . . . A 85 SER CA . 25685 1 312 . 1 1 95 95 SER CB C 13 63.654 0.000 . 1 . . . A 85 SER CB . 25685 1 313 . 1 1 95 95 SER N N 15 116.146 0.022 . 1 . . . A 85 SER N . 25685 1 314 . 1 1 96 96 ILE H H 1 8.102 0.010 . 1 . . . A 86 ILE H . 25685 1 315 . 1 1 96 96 ILE C C 13 178.698 0.016 . 1 . . . A 86 ILE C . 25685 1 316 . 1 1 96 96 ILE CA C 13 64.526 0.021 . 1 . . . A 86 ILE CA . 25685 1 317 . 1 1 96 96 ILE CB C 13 37.393 0.000 . 1 . . . A 86 ILE CB . 25685 1 318 . 1 1 96 96 ILE N N 15 122.570 0.023 . 1 . . . A 86 ILE N . 25685 1 319 . 1 1 97 97 PHE H H 1 7.719 0.003 . 1 . . . A 87 PHE H . 25685 1 320 . 1 1 97 97 PHE C C 13 177.671 0.003 . 1 . . . A 87 PHE C . 25685 1 321 . 1 1 97 97 PHE CA C 13 61.098 0.019 . 1 . . . A 87 PHE CA . 25685 1 322 . 1 1 97 97 PHE CB C 13 39.151 0.000 . 1 . . . A 87 PHE CB . 25685 1 323 . 1 1 97 97 PHE N N 15 121.340 0.072 . 1 . . . A 87 PHE N . 25685 1 324 . 1 1 98 98 ALA H H 1 8.679 0.008 . 1 . . . A 88 ALA H . 25685 1 325 . 1 1 98 98 ALA C C 13 180.030 0.002 . 1 . . . A 88 ALA C . 25685 1 326 . 1 1 98 98 ALA CA C 13 55.147 0.033 . 1 . . . A 88 ALA CA . 25685 1 327 . 1 1 98 98 ALA CB C 13 19.053 0.000 . 1 . . . A 88 ALA CB . 25685 1 328 . 1 1 98 98 ALA N N 15 120.921 0.024 . 1 . . . A 88 ALA N . 25685 1 329 . 1 1 99 99 SER H H 1 8.242 0.006 . 1 . . . A 89 SER H . 25685 1 330 . 1 1 99 99 SER C C 13 177.040 0.003 . 1 . . . A 89 SER C . 25685 1 331 . 1 1 99 99 SER CA C 13 61.314 0.005 . 1 . . . A 89 SER CA . 25685 1 332 . 1 1 99 99 SER CB C 13 63.371 0.015 . 1 . . . A 89 SER CB . 25685 1 333 . 1 1 99 99 SER N N 15 114.285 0.021 . 1 . . . A 89 SER N . 25685 1 334 . 1 1 100 100 ARG H H 1 7.907 0.007 . 1 . . . A 90 ARG H . 25685 1 335 . 1 1 100 100 ARG C C 13 179.247 0.009 . 1 . . . A 90 ARG C . 25685 1 336 . 1 1 100 100 ARG CA C 13 58.444 0.044 . 1 . . . A 90 ARG CA . 25685 1 337 . 1 1 100 100 ARG CB C 13 29.532 0.000 . 1 . . . A 90 ARG CB . 25685 1 338 . 1 1 100 100 ARG N N 15 121.829 0.033 . 1 . . . A 90 ARG N . 25685 1 339 . 1 1 101 101 MET H H 1 7.930 0.005 . 1 . . . A 91 MET H . 25685 1 340 . 1 1 101 101 MET C C 13 177.504 0.010 . 1 . . . A 91 MET C . 25685 1 341 . 1 1 101 101 MET CA C 13 57.152 0.017 . 1 . . . A 91 MET CA . 25685 1 342 . 1 1 101 101 MET CB C 13 32.510 0.000 . 1 . . . A 91 MET CB . 25685 1 343 . 1 1 101 101 MET N N 15 117.124 0.053 . 1 . . . A 91 MET N . 25685 1 344 . 1 1 102 102 THR H H 1 7.847 0.009 . 1 . . . A 92 THR H . 25685 1 345 . 1 1 102 102 THR C C 13 176.367 0.000 . 1 . . . A 92 THR C . 25685 1 346 . 1 1 102 102 THR CA C 13 63.564 0.053 . 1 . . . A 92 THR CA . 25685 1 347 . 1 1 102 102 THR N N 15 108.478 0.107 . 1 . . . A 92 THR N . 25685 1 348 . 1 1 103 103 SER H H 1 7.732 0.008 . 1 . . . A 93 SER H . 25685 1 349 . 1 1 103 103 SER C C 13 176.552 0.011 . 1 . . . A 93 SER C . 25685 1 350 . 1 1 103 103 SER CA C 13 60.821 0.017 . 1 . . . A 93 SER CA . 25685 1 351 . 1 1 103 103 SER CB C 13 63.311 0.000 . 1 . . . A 93 SER CB . 25685 1 352 . 1 1 103 103 SER N N 15 117.950 0.038 . 1 . . . A 93 SER N . 25685 1 353 . 1 1 104 104 GLY H H 1 8.419 0.014 . 1 . . . A 94 GLY H . 25685 1 354 . 1 1 104 104 GLY C C 13 175.198 0.010 . 1 . . . A 94 GLY C . 25685 1 355 . 1 1 104 104 GLY CA C 13 46.021 0.024 . 1 . . . A 94 GLY CA . 25685 1 356 . 1 1 104 104 GLY N N 15 111.265 0.051 . 1 . . . A 94 GLY N . 25685 1 357 . 1 1 105 105 LEU H H 1 7.849 0.005 . 1 . . . A 95 LEU H . 25685 1 358 . 1 1 105 105 LEU C C 13 177.810 0.009 . 1 . . . A 95 LEU C . 25685 1 359 . 1 1 105 105 LEU CA C 13 56.012 0.010 . 1 . . . A 95 LEU CA . 25685 1 360 . 1 1 105 105 LEU CB C 13 42.122 0.000 . 1 . . . A 95 LEU CB . 25685 1 361 . 1 1 105 105 LEU N N 15 121.019 0.052 . 1 . . . A 95 LEU N . 25685 1 362 . 1 1 106 106 SER H H 1 8.349 0.006 . 1 . . . A 96 SER H . 25685 1 363 . 1 1 106 106 SER C C 13 175.543 0.012 . 1 . . . A 96 SER C . 25685 1 364 . 1 1 106 106 SER CA C 13 60.151 0.019 . 1 . . . A 96 SER CA . 25685 1 365 . 1 1 106 106 SER N N 15 115.465 0.039 . 1 . . . A 96 SER N . 25685 1 366 . 1 1 107 107 TRP H H 1 7.723 0.003 . 1 . . . A 97 TRP H . 25685 1 367 . 1 1 107 107 TRP C C 13 176.973 0.019 . 1 . . . A 97 TRP C . 25685 1 368 . 1 1 107 107 TRP CA C 13 58.250 0.030 . 1 . . . A 97 TRP CA . 25685 1 369 . 1 1 107 107 TRP CB C 13 28.899 0.000 . 1 . . . A 97 TRP CB . 25685 1 370 . 1 1 107 107 TRP N N 15 121.711 0.050 . 1 . . . A 97 TRP N . 25685 1 371 . 1 1 108 108 LYS H H 1 7.855 0.003 . 1 . . . A 98 LYS H . 25685 1 372 . 1 1 108 108 LYS C C 13 178.021 0.006 . 1 . . . A 98 LYS C . 25685 1 373 . 1 1 108 108 LYS CA C 13 56.340 0.017 . 1 . . . A 98 LYS CA . 25685 1 374 . 1 1 108 108 LYS CB C 13 31.933 0.000 . 1 . . . A 98 LYS CB . 25685 1 375 . 1 1 108 108 LYS N N 15 119.868 0.048 . 1 . . . A 98 LYS N . 25685 1 376 . 1 1 109 109 ILE H H 1 8.069 0.007 . 1 . . . A 99 ILE H . 25685 1 377 . 1 1 109 109 ILE C C 13 176.769 0.000 . 1 . . . A 99 ILE C . 25685 1 378 . 1 1 109 109 ILE CA C 13 62.758 0.000 . 1 . . . A 99 ILE CA . 25685 1 379 . 1 1 109 109 ILE CB C 13 37.809 0.000 . 1 . . . A 99 ILE CB . 25685 1 380 . 1 1 109 109 ILE N N 15 120.044 0.032 . 1 . . . A 99 ILE N . 25685 1 381 . 1 1 110 110 GLN C C 13 176.315 0.000 . 1 . . . A 100 GLN C . 25685 1 382 . 1 1 110 110 GLN CA C 13 57.486 0.071 . 1 . . . A 100 GLN CA . 25685 1 383 . 1 1 111 111 THR H H 1 7.508 0.007 . 1 . . . A 101 THR H . 25685 1 384 . 1 1 111 111 THR C C 13 174.664 0.013 . 1 . . . A 101 THR C . 25685 1 385 . 1 1 111 111 THR CA C 13 61.709 0.024 . 1 . . . A 101 THR CA . 25685 1 386 . 1 1 111 111 THR CB C 13 69.290 0.010 . 1 . . . A 101 THR CB . 25685 1 387 . 1 1 111 111 THR N N 15 109.873 0.116 . 1 . . . A 101 THR N . 25685 1 388 . 1 1 112 112 LEU H H 1 7.569 0.015 . 1 . . . A 102 LEU H . 25685 1 389 . 1 1 112 112 LEU C C 13 174.681 0.000 . 1 . . . A 102 LEU C . 25685 1 390 . 1 1 112 112 LEU CA C 13 53.063 0.000 . 1 . . . A 102 LEU CA . 25685 1 391 . 1 1 112 112 LEU CB C 13 41.139 0.000 . 1 . . . A 102 LEU CB . 25685 1 392 . 1 1 112 112 LEU N N 15 124.434 0.030 . 1 . . . A 102 LEU N . 25685 1 393 . 1 1 113 113 PRO C C 13 178.076 0.000 . 1 . . . A 103 PRO C . 25685 1 394 . 1 1 113 113 PRO CA C 13 62.570 0.000 . 1 . . . A 103 PRO CA . 25685 1 395 . 1 1 113 113 PRO CB C 13 31.534 0.000 . 1 . . . A 103 PRO CB . 25685 1 396 . 1 1 114 114 SER H H 1 8.784 0.018 . 1 . . . A 104 SER H . 25685 1 397 . 1 1 114 114 SER C C 13 176.432 0.000 . 1 . . . A 104 SER C . 25685 1 398 . 1 1 114 114 SER CA C 13 61.976 0.061 . 1 . . . A 104 SER CA . 25685 1 399 . 1 1 114 114 SER CB C 13 63.611 0.000 . 1 . . . A 104 SER CB . 25685 1 400 . 1 1 114 114 SER N N 15 119.929 0.031 . 1 . . . A 104 SER N . 25685 1 401 . 1 1 115 115 PHE H H 1 8.620 0.002 . 1 . . . A 105 PHE H . 25685 1 402 . 1 1 115 115 PHE C C 13 176.852 0.006 . 1 . . . A 105 PHE C . 25685 1 403 . 1 1 115 115 PHE CA C 13 60.162 0.069 . 1 . . . A 105 PHE CA . 25685 1 404 . 1 1 115 115 PHE CB C 13 38.455 0.000 . 1 . . . A 105 PHE CB . 25685 1 405 . 1 1 115 115 PHE N N 15 119.519 0.032 . 1 . . . A 105 PHE N . 25685 1 406 . 1 1 116 116 PHE H H 1 7.519 0.008 . 1 . . . A 106 PHE H . 25685 1 407 . 1 1 116 116 PHE C C 13 176.741 0.007 . 1 . . . A 106 PHE C . 25685 1 408 . 1 1 116 116 PHE CA C 13 61.421 0.020 . 1 . . . A 106 PHE CA . 25685 1 409 . 1 1 116 116 PHE CB C 13 38.788 0.000 . 1 . . . A 106 PHE CB . 25685 1 410 . 1 1 116 116 PHE N N 15 118.809 0.034 . 1 . . . A 106 PHE N . 25685 1 411 . 1 1 117 117 PHE H H 1 7.903 0.004 . 1 . . . A 107 PHE H . 25685 1 412 . 1 1 117 117 PHE C C 13 177.771 0.000 . 1 . . . A 107 PHE C . 25685 1 413 . 1 1 117 117 PHE CA C 13 61.099 0.068 . 1 . . . A 107 PHE CA . 25685 1 414 . 1 1 117 117 PHE CB C 13 38.677 0.000 . 1 . . . A 107 PHE CB . 25685 1 415 . 1 1 117 117 PHE N N 15 117.382 0.016 . 1 . . . A 107 PHE N . 25685 1 416 . 1 1 118 118 GLY H H 1 8.351 0.003 . 1 . . . A 108 GLY H . 25685 1 417 . 1 1 118 118 GLY C C 13 174.574 0.021 . 1 . . . A 108 GLY C . 25685 1 418 . 1 1 118 118 GLY CA C 13 47.508 0.041 . 1 . . . A 108 GLY CA . 25685 1 419 . 1 1 118 118 GLY N N 15 105.340 0.034 . 1 . . . A 108 GLY N . 25685 1 420 . 1 1 119 119 MET H H 1 7.919 0.003 . 1 . . . A 109 MET H . 25685 1 421 . 1 1 119 119 MET C C 13 177.522 0.021 . 1 . . . A 109 MET C . 25685 1 422 . 1 1 119 119 MET CA C 13 58.658 0.009 . 1 . . . A 109 MET CA . 25685 1 423 . 1 1 119 119 MET CB C 13 32.106 0.000 . 1 . . . A 109 MET CB . 25685 1 424 . 1 1 119 119 MET N N 15 119.831 0.037 . 1 . . . A 109 MET N . 25685 1 425 . 1 1 120 120 LEU H H 1 7.744 0.009 . 1 . . . A 110 LEU H . 25685 1 426 . 1 1 120 120 LEU C C 13 178.170 0.013 . 1 . . . A 110 LEU C . 25685 1 427 . 1 1 120 120 LEU CA C 13 57.941 0.012 . 1 . . . A 110 LEU CA . 25685 1 428 . 1 1 120 120 LEU CB C 13 41.055 0.000 . 1 . . . A 110 LEU CB . 25685 1 429 . 1 1 120 120 LEU N N 15 119.908 0.024 . 1 . . . A 110 LEU N . 25685 1 430 . 1 1 121 121 LEU H H 1 7.732 0.004 . 1 . . . A 111 LEU H . 25685 1 431 . 1 1 121 121 LEU C C 13 178.960 0.004 . 1 . . . A 111 LEU C . 25685 1 432 . 1 1 121 121 LEU CA C 13 57.366 0.095 . 1 . . . A 111 LEU CA . 25685 1 433 . 1 1 121 121 LEU CB C 13 40.259 0.000 . 1 . . . A 111 LEU CB . 25685 1 434 . 1 1 121 121 LEU N N 15 116.594 0.024 . 1 . . . A 111 LEU N . 25685 1 435 . 1 1 122 122 ALA H H 1 8.121 0.004 . 1 . . . A 112 ALA H . 25685 1 436 . 1 1 122 122 ALA C C 13 178.700 0.005 . 1 . . . A 112 ALA C . 25685 1 437 . 1 1 122 122 ALA CA C 13 55.432 0.023 . 1 . . . A 112 ALA CA . 25685 1 438 . 1 1 122 122 ALA CB C 13 18.214 0.000 . 1 . . . A 112 ALA CB . 25685 1 439 . 1 1 122 122 ALA N N 15 121.020 0.026 . 1 . . . A 112 ALA N . 25685 1 440 . 1 1 123 123 PHE H H 1 8.237 0.011 . 1 . . . A 113 PHE H . 25685 1 441 . 1 1 123 123 PHE C C 13 176.091 0.012 . 1 . . . A 113 PHE C . 25685 1 442 . 1 1 123 123 PHE CA C 13 61.388 0.019 . 1 . . . A 113 PHE CA . 25685 1 443 . 1 1 123 123 PHE CB C 13 39.688 0.000 . 1 . . . A 113 PHE CB . 25685 1 444 . 1 1 123 123 PHE N N 15 118.369 0.022 . 1 . . . A 113 PHE N . 25685 1 445 . 1 1 124 124 LEU H H 1 7.576 0.005 . 1 . . . A 114 LEU H . 25685 1 446 . 1 1 124 124 LEU C C 13 177.038 0.000 . 1 . . . A 114 LEU C . 25685 1 447 . 1 1 124 124 LEU CA C 13 56.358 0.021 . 1 . . . A 114 LEU CA . 25685 1 448 . 1 1 124 124 LEU CB C 13 42.716 0.000 . 1 . . . A 114 LEU CB . 25685 1 449 . 1 1 124 124 LEU N N 15 114.214 0.038 . 1 . . . A 114 LEU N . 25685 1 450 . 1 1 125 125 TRP H H 1 8.542 0.008 . 1 . . . A 115 TRP H . 25685 1 451 . 1 1 125 125 TRP C C 13 180.163 0.017 . 1 . . . A 115 TRP C . 25685 1 452 . 1 1 125 125 TRP CA C 13 55.930 0.057 . 1 . . . A 115 TRP CA . 25685 1 453 . 1 1 125 125 TRP N N 15 112.667 0.042 . 1 . . . A 115 TRP N . 25685 1 454 . 1 1 126 126 LEU H H 1 8.996 0.004 . 1 . . . A 116 LEU H . 25685 1 455 . 1 1 126 126 LEU C C 13 175.953 0.000 . 1 . . . A 116 LEU C . 25685 1 456 . 1 1 126 126 LEU CA C 13 59.924 0.000 . 1 . . . A 116 LEU CA . 25685 1 457 . 1 1 126 126 LEU CB C 13 39.097 0.000 . 1 . . . A 116 LEU CB . 25685 1 458 . 1 1 126 126 LEU N N 15 122.144 0.033 . 1 . . . A 116 LEU N . 25685 1 459 . 1 1 127 127 PRO C C 13 174.220 0.000 . 1 . . . A 117 PRO C . 25685 1 460 . 1 1 127 127 PRO CA C 13 66.300 0.000 . 1 . . . A 117 PRO CA . 25685 1 461 . 1 1 128 128 ALA H H 1 6.633 0.007 . 1 . . . A 118 ALA H . 25685 1 462 . 1 1 128 128 ALA C C 13 177.162 0.004 . 1 . . . A 118 ALA C . 25685 1 463 . 1 1 128 128 ALA CA C 13 52.670 0.056 . 1 . . . A 118 ALA CA . 25685 1 464 . 1 1 128 128 ALA CB C 13 18.853 0.000 . 1 . . . A 118 ALA CB . 25685 1 465 . 1 1 128 128 ALA N N 15 110.603 0.054 . 1 . . . A 118 ALA N . 25685 1 466 . 1 1 129 129 ILE H H 1 7.693 0.005 . 1 . . . A 119 ILE H . 25685 1 467 . 1 1 129 129 ILE CA C 13 63.703 0.000 . 1 . . . A 119 ILE CA . 25685 1 468 . 1 1 129 129 ILE CB C 13 39.605 0.000 . 1 . . . A 119 ILE CB . 25685 1 469 . 1 1 129 129 ILE N N 15 113.492 0.029 . 1 . . . A 119 ILE N . 25685 1 470 . 1 1 131 131 PRO C C 13 178.089 0.000 . 1 . . . A 121 PRO C . 25685 1 471 . 1 1 131 131 PRO CA C 13 66.004 0.054 . 1 . . . A 121 PRO CA . 25685 1 472 . 1 1 132 132 PHE H H 1 6.846 0.007 . 1 . . . A 122 PHE H . 25685 1 473 . 1 1 132 132 PHE C C 13 177.713 0.007 . 1 . . . A 122 PHE C . 25685 1 474 . 1 1 132 132 PHE CA C 13 61.566 0.070 . 1 . . . A 122 PHE CA . 25685 1 475 . 1 1 132 132 PHE CB C 13 38.983 0.000 . 1 . . . A 122 PHE CB . 25685 1 476 . 1 1 132 132 PHE N N 15 113.797 0.044 . 1 . . . A 122 PHE N . 25685 1 477 . 1 1 133 133 ALA H H 1 8.411 0.007 . 1 . . . A 123 ALA H . 25685 1 478 . 1 1 133 133 ALA C C 13 179.318 0.000 . 1 . . . A 123 ALA C . 25685 1 479 . 1 1 133 133 ALA CA C 13 54.975 0.060 . 1 . . . A 123 ALA CA . 25685 1 480 . 1 1 133 133 ALA CB C 13 17.881 0.000 . 1 . . . A 123 ALA CB . 25685 1 481 . 1 1 133 133 ALA N N 15 121.512 0.022 . 1 . . . A 123 ALA N . 25685 1 482 . 1 1 134 134 GLY H H 1 8.455 0.004 . 1 . . . A 124 GLY H . 25685 1 483 . 1 1 134 134 GLY C C 13 175.410 0.001 . 1 . . . A 124 GLY C . 25685 1 484 . 1 1 134 134 GLY CA C 13 47.370 0.059 . 1 . . . A 124 GLY CA . 25685 1 485 . 1 1 134 134 GLY N N 15 104.093 0.039 . 1 . . . A 124 GLY N . 25685 1 486 . 1 1 135 135 ILE H H 1 7.954 0.006 . 1 . . . A 125 ILE H . 25685 1 487 . 1 1 135 135 ILE C C 13 178.329 0.013 . 1 . . . A 125 ILE C . 25685 1 488 . 1 1 135 135 ILE CA C 13 64.412 0.011 . 1 . . . A 125 ILE CA . 25685 1 489 . 1 1 135 135 ILE N N 15 121.895 0.046 . 1 . . . A 125 ILE N . 25685 1 490 . 1 1 136 136 ALA H H 1 8.142 0.005 . 1 . . . A 126 ALA H . 25685 1 491 . 1 1 136 136 ALA C C 13 180.341 0.005 . 1 . . . A 126 ALA C . 25685 1 492 . 1 1 136 136 ALA CA C 13 55.266 0.003 . 1 . . . A 126 ALA CA . 25685 1 493 . 1 1 136 136 ALA CB C 13 18.226 0.000 . 1 . . . A 126 ALA CB . 25685 1 494 . 1 1 136 136 ALA N N 15 122.768 0.074 . 1 . . . A 126 ALA N . 25685 1 495 . 1 1 137 137 ILE H H 1 8.335 0.010 . 1 . . . A 127 ILE H . 25685 1 496 . 1 1 137 137 ILE C C 13 177.993 0.005 . 1 . . . A 127 ILE C . 25685 1 497 . 1 1 137 137 ILE CA C 13 63.877 0.019 . 1 . . . A 127 ILE CA . 25685 1 498 . 1 1 137 137 ILE CB C 13 37.657 0.000 . 1 . . . A 127 ILE CB . 25685 1 499 . 1 1 137 137 ILE N N 15 116.752 0.043 . 1 . . . A 127 ILE N . 25685 1 500 . 1 1 138 138 SER H H 1 7.939 0.006 . 1 . . . A 128 SER H . 25685 1 501 . 1 1 138 138 SER C C 13 175.796 0.014 . 1 . . . A 128 SER C . 25685 1 502 . 1 1 138 138 SER CA C 13 61.818 0.008 . 1 . . . A 128 SER CA . 25685 1 503 . 1 1 138 138 SER N N 15 116.351 0.059 . 1 . . . A 128 SER N . 25685 1 504 . 1 1 139 139 GLN H H 1 7.943 0.008 . 1 . . . A 129 GLN H . 25685 1 505 . 1 1 139 139 GLN C C 13 177.419 0.001 . 1 . . . A 129 GLN C . 25685 1 506 . 1 1 139 139 GLN CA C 13 57.106 0.024 . 1 . . . A 129 GLN CA . 25685 1 507 . 1 1 139 139 GLN CB C 13 28.631 0.000 . 1 . . . A 129 GLN CB . 25685 1 508 . 1 1 139 139 GLN N N 15 118.082 0.038 . 1 . . . A 129 GLN N . 25685 1 509 . 1 1 140 140 THR H H 1 7.686 0.006 . 1 . . . A 130 THR H . 25685 1 510 . 1 1 140 140 THR C C 13 175.627 0.000 . 1 . . . A 130 THR C . 25685 1 511 . 1 1 140 140 THR CA C 13 63.758 0.022 . 1 . . . A 130 THR CA . 25685 1 512 . 1 1 140 140 THR CB C 13 69.182 0.000 . 1 . . . A 130 THR CB . 25685 1 513 . 1 1 140 140 THR N N 15 113.484 0.041 . 1 . . . A 130 THR N . 25685 1 514 . 1 1 141 141 LEU H H 1 8.071 0.007 . 1 . . . A 131 LEU H . 25685 1 515 . 1 1 141 141 LEU C C 13 177.522 0.021 . 1 . . . A 131 LEU C . 25685 1 516 . 1 1 141 141 LEU CA C 13 56.307 0.011 . 1 . . . A 131 LEU CA . 25685 1 517 . 1 1 141 141 LEU CB C 13 41.711 0.000 . 1 . . . A 131 LEU CB . 25685 1 518 . 1 1 141 141 LEU N N 15 121.347 0.027 . 1 . . . A 131 LEU N . 25685 1 519 . 1 1 142 142 LEU H H 1 7.810 0.005 . 1 . . . A 132 LEU H . 25685 1 520 . 1 1 142 142 LEU C C 13 177.461 0.002 . 1 . . . A 132 LEU C . 25685 1 521 . 1 1 142 142 LEU CA C 13 55.264 0.006 . 1 . . . A 132 LEU CA . 25685 1 522 . 1 1 142 142 LEU CB C 13 41.613 0.000 . 1 . . . A 132 LEU CB . 25685 1 523 . 1 1 142 142 LEU N N 15 118.162 0.035 . 1 . . . A 132 LEU N . 25685 1 524 . 1 1 143 143 SER H H 1 7.829 0.014 . 1 . . . A 133 SER H . 25685 1 525 . 1 1 143 143 SER C C 13 174.363 0.003 . 1 . . . A 133 SER C . 25685 1 526 . 1 1 143 143 SER CA C 13 59.019 0.007 . 1 . . . A 133 SER CA . 25685 1 527 . 1 1 143 143 SER CB C 13 64.634 0.000 . 1 . . . A 133 SER CB . 25685 1 528 . 1 1 143 143 SER N N 15 114.244 0.050 . 1 . . . A 133 SER N . 25685 1 529 . 1 1 144 144 GLU H H 1 8.054 0.005 . 1 . . . A 134 GLU H . 25685 1 530 . 1 1 144 144 GLU C C 13 175.935 0.020 . 1 . . . A 134 GLU C . 25685 1 531 . 1 1 144 144 GLU CA C 13 56.301 0.035 . 1 . . . A 134 GLU CA . 25685 1 532 . 1 1 144 144 GLU CB C 13 30.129 0.000 . 1 . . . A 134 GLU CB . 25685 1 533 . 1 1 144 144 GLU N N 15 120.151 0.034 . 1 . . . A 134 GLU N . 25685 1 534 . 1 1 145 145 ASN H H 1 8.305 0.004 . 1 . . . A 135 ASN H . 25685 1 535 . 1 1 145 145 ASN C C 13 174.272 0.000 . 1 . . . A 135 ASN C . 25685 1 536 . 1 1 145 145 ASN CA C 13 51.390 0.000 . 1 . . . A 135 ASN CA . 25685 1 537 . 1 1 145 145 ASN CB C 13 39.129 0.000 . 1 . . . A 135 ASN CB . 25685 1 538 . 1 1 145 145 ASN N N 15 118.890 0.025 . 1 . . . A 135 ASN N . 25685 1 539 . 1 1 146 146 PRO C C 13 177.960 0.018 . 1 . . . A 136 PRO C . 25685 1 540 . 1 1 146 146 PRO CA C 13 64.530 0.023 . 1 . . . A 136 PRO CA . 25685 1 541 . 1 1 146 146 PRO CB C 13 31.809 0.000 . 1 . . . A 136 PRO CB . 25685 1 542 . 1 1 147 147 LEU H H 1 8.248 0.005 . 1 . . . A 137 LEU H . 25685 1 543 . 1 1 147 147 LEU C C 13 179.217 0.014 . 1 . . . A 137 LEU C . 25685 1 544 . 1 1 147 147 LEU CA C 13 57.039 0.031 . 1 . . . A 137 LEU CA . 25685 1 545 . 1 1 147 147 LEU CB C 13 40.799 0.052 . 1 . . . A 137 LEU CB . 25685 1 546 . 1 1 147 147 LEU N N 15 117.735 0.099 . 1 . . . A 137 LEU N . 25685 1 547 . 1 1 148 148 VAL H H 1 7.483 0.006 . 1 . . . A 138 VAL H . 25685 1 548 . 1 1 148 148 VAL C C 13 177.894 0.021 . 1 . . . A 138 VAL C . 25685 1 549 . 1 1 148 148 VAL CA C 13 64.727 0.012 . 1 . . . A 138 VAL CA . 25685 1 550 . 1 1 148 148 VAL CB C 13 31.347 0.000 . 1 . . . A 138 VAL CB . 25685 1 551 . 1 1 148 148 VAL N N 15 119.589 0.040 . 1 . . . A 138 VAL N . 25685 1 552 . 1 1 149 149 MET H H 1 7.837 0.006 . 1 . . . A 139 MET H . 25685 1 553 . 1 1 149 149 MET C C 13 177.988 0.001 . 1 . . . A 139 MET C . 25685 1 554 . 1 1 149 149 MET CA C 13 57.403 0.026 . 1 . . . A 139 MET CA . 25685 1 555 . 1 1 149 149 MET CB C 13 31.709 0.000 . 1 . . . A 139 MET CB . 25685 1 556 . 1 1 149 149 MET N N 15 119.431 0.052 . 1 . . . A 139 MET N . 25685 1 557 . 1 1 150 150 LEU H H 1 7.926 0.004 . 1 . . . A 140 LEU H . 25685 1 558 . 1 1 150 150 LEU C C 13 177.916 0.010 . 1 . . . A 140 LEU C . 25685 1 559 . 1 1 150 150 LEU CA C 13 56.877 0.072 . 1 . . . A 140 LEU CA . 25685 1 560 . 1 1 150 150 LEU CB C 13 41.491 0.078 . 1 . . . A 140 LEU CB . 25685 1 561 . 1 1 150 150 LEU N N 15 119.686 0.048 . 1 . . . A 140 LEU N . 25685 1 562 . 1 1 151 151 SER H H 1 7.757 0.003 . 1 . . . A 141 SER H . 25685 1 563 . 1 1 151 151 SER C C 13 176.030 0.007 . 1 . . . A 141 SER C . 25685 1 564 . 1 1 151 151 SER CA C 13 60.425 0.003 . 1 . . . A 141 SER CA . 25685 1 565 . 1 1 151 151 SER CB C 13 63.956 0.000 . 1 . . . A 141 SER CB . 25685 1 566 . 1 1 151 151 SER N N 15 114.167 0.042 . 1 . . . A 141 SER N . 25685 1 567 . 1 1 152 152 TYR H H 1 7.965 0.005 . 1 . . . A 142 TYR H . 25685 1 568 . 1 1 152 152 TYR C C 13 177.659 0.013 . 1 . . . A 142 TYR C . 25685 1 569 . 1 1 152 152 TYR CA C 13 59.673 0.027 . 1 . . . A 142 TYR CA . 25685 1 570 . 1 1 152 152 TYR CB C 13 38.079 0.000 . 1 . . . A 142 TYR CB . 25685 1 571 . 1 1 152 152 TYR N N 15 121.679 0.023 . 1 . . . A 142 TYR N . 25685 1 572 . 1 1 153 153 GLY H H 1 8.177 0.010 . 1 . . . A 143 GLY H . 25685 1 573 . 1 1 153 153 GLY C C 13 174.877 0.008 . 1 . . . A 143 GLY C . 25685 1 574 . 1 1 153 153 GLY CA C 13 46.343 0.025 . 1 . . . A 143 GLY CA . 25685 1 575 . 1 1 153 153 GLY N N 15 107.396 0.033 . 1 . . . A 143 GLY N . 25685 1 576 . 1 1 154 154 LEU H H 1 8.055 0.010 . 1 . . . A 144 LEU H . 25685 1 577 . 1 1 154 154 LEU C C 13 178.504 0.014 . 1 . . . A 144 LEU C . 25685 1 578 . 1 1 154 154 LEU CA C 13 56.270 0.022 . 1 . . . A 144 LEU CA . 25685 1 579 . 1 1 154 154 LEU CB C 13 41.662 0.000 . 1 . . . A 144 LEU CB . 25685 1 580 . 1 1 154 154 LEU N N 15 120.477 0.053 . 1 . . . A 144 LEU N . 25685 1 581 . 1 1 155 155 GLY H H 1 8.066 0.004 . 1 . . . A 145 GLY H . 25685 1 582 . 1 1 155 155 GLY C C 13 175.375 0.007 . 1 . . . A 145 GLY C . 25685 1 583 . 1 1 155 155 GLY CA C 13 45.582 0.046 . 1 . . . A 145 GLY CA . 25685 1 584 . 1 1 155 155 GLY N N 15 106.847 0.055 . 1 . . . A 145 GLY N . 25685 1 585 . 1 1 156 156 MET H H 1 8.157 0.004 . 1 . . . A 146 MET H . 25685 1 586 . 1 1 156 156 MET C C 13 176.663 0.026 . 1 . . . A 146 MET C . 25685 1 587 . 1 1 156 156 MET CA C 13 57.030 0.031 . 1 . . . A 146 MET CA . 25685 1 588 . 1 1 156 156 MET CB C 13 30.720 0.000 . 1 . . . A 146 MET CB . 25685 1 589 . 1 1 156 156 MET N N 15 120.376 0.061 . 1 . . . A 146 MET N . 25685 1 590 . 1 1 157 157 ALA H H 1 8.336 0.008 . 1 . . . A 147 ALA H . 25685 1 591 . 1 1 157 157 ALA C C 13 178.917 0.011 . 1 . . . A 147 ALA C . 25685 1 592 . 1 1 157 157 ALA CA C 13 54.201 0.002 . 1 . . . A 147 ALA CA . 25685 1 593 . 1 1 157 157 ALA CB C 13 18.810 0.000 . 1 . . . A 147 ALA CB . 25685 1 594 . 1 1 157 157 ALA N N 15 123.038 0.031 . 1 . . . A 147 ALA N . 25685 1 595 . 1 1 158 158 VAL H H 1 7.908 0.008 . 1 . . . A 148 VAL H . 25685 1 596 . 1 1 158 158 VAL C C 13 176.891 0.015 . 1 . . . A 148 VAL C . 25685 1 597 . 1 1 158 158 VAL CA C 13 64.157 0.029 . 1 . . . A 148 VAL CA . 25685 1 598 . 1 1 158 158 VAL CB C 13 31.529 0.000 . 1 . . . A 148 VAL CB . 25685 1 599 . 1 1 158 158 VAL N N 15 117.795 0.076 . 1 . . . A 148 VAL N . 25685 1 600 . 1 1 159 159 THR H H 1 7.414 0.005 . 1 . . . A 149 THR H . 25685 1 601 . 1 1 159 159 THR C C 13 176.054 0.000 . 1 . . . A 149 THR C . 25685 1 602 . 1 1 159 159 THR CA C 13 63.308 0.001 . 1 . . . A 149 THR CA . 25685 1 603 . 1 1 159 159 THR N N 15 116.069 0.052 . 1 . . . A 149 THR N . 25685 1 604 . 1 1 160 160 ILE H H 1 8.772 0.016 . 1 . . . A 150 ILE H . 25685 1 605 . 1 1 160 160 ILE C C 13 177.715 0.001 . 1 . . . A 150 ILE C . 25685 1 606 . 1 1 160 160 ILE CA C 13 64.319 0.041 . 1 . . . A 150 ILE CA . 25685 1 607 . 1 1 160 160 ILE CB C 13 36.628 0.000 . 1 . . . A 150 ILE CB . 25685 1 608 . 1 1 160 160 ILE N N 15 121.971 0.024 . 1 . . . A 150 ILE N . 25685 1 609 . 1 1 161 161 ALA H H 1 8.163 0.006 . 1 . . . A 151 ALA H . 25685 1 610 . 1 1 161 161 ALA C C 13 180.370 0.007 . 1 . . . A 151 ALA C . 25685 1 611 . 1 1 161 161 ALA CA C 13 55.336 0.014 . 1 . . . A 151 ALA CA . 25685 1 612 . 1 1 161 161 ALA CB C 13 18.107 0.000 . 1 . . . A 151 ALA CB . 25685 1 613 . 1 1 161 161 ALA N N 15 122.272 0.069 . 1 . . . A 151 ALA N . 25685 1 614 . 1 1 162 162 ALA H H 1 7.877 0.006 . 1 . . . A 152 ALA H . 25685 1 615 . 1 1 162 162 ALA C C 13 181.019 0.000 . 1 . . . A 152 ALA C . 25685 1 616 . 1 1 162 162 ALA CA C 13 54.944 0.081 . 1 . . . A 152 ALA CA . 25685 1 617 . 1 1 162 162 ALA CB C 13 18.963 0.000 . 1 . . . A 152 ALA CB . 25685 1 618 . 1 1 162 162 ALA N N 15 120.648 0.023 . 1 . . . A 152 ALA N . 25685 1 619 . 1 1 163 163 VAL H H 1 8.118 0.005 . 1 . . . A 153 VAL H . 25685 1 620 . 1 1 163 163 VAL C C 13 178.197 0.003 . 1 . . . A 153 VAL C . 25685 1 621 . 1 1 163 163 VAL CA C 13 66.289 0.030 . 1 . . . A 153 VAL CA . 25685 1 622 . 1 1 163 163 VAL CB C 13 30.770 0.000 . 1 . . . A 153 VAL CB . 25685 1 623 . 1 1 163 163 VAL N N 15 119.372 0.039 . 1 . . . A 153 VAL N . 25685 1 624 . 1 1 164 164 PHE H H 1 8.508 0.005 . 1 . . . A 154 PHE H . 25685 1 625 . 1 1 164 164 PHE C C 13 177.733 0.019 . 1 . . . A 154 PHE C . 25685 1 626 . 1 1 164 164 PHE CA C 13 61.412 0.026 . 1 . . . A 154 PHE CA . 25685 1 627 . 1 1 164 164 PHE CB C 13 38.465 0.000 . 1 . . . A 154 PHE CB . 25685 1 628 . 1 1 164 164 PHE N N 15 120.362 0.033 . 1 . . . A 154 PHE N . 25685 1 629 . 1 1 165 165 LYS H H 1 8.035 0.005 . 1 . . . A 155 LYS H . 25685 1 630 . 1 1 165 165 LYS C C 13 179.940 0.001 . 1 . . . A 155 LYS C . 25685 1 631 . 1 1 165 165 LYS CA C 13 58.969 0.084 . 1 . . . A 155 LYS CA . 25685 1 632 . 1 1 165 165 LYS CB C 13 31.725 0.000 . 1 . . . A 155 LYS CB . 25685 1 633 . 1 1 165 165 LYS N N 15 118.894 0.025 . 1 . . . A 155 LYS N . 25685 1 634 . 1 1 166 166 MET H H 1 8.014 0.003 . 1 . . . A 156 MET H . 25685 1 635 . 1 1 166 166 MET C C 13 179.245 0.015 . 1 . . . A 156 MET C . 25685 1 636 . 1 1 166 166 MET CA C 13 58.518 0.104 . 1 . . . A 156 MET CA . 25685 1 637 . 1 1 166 166 MET CB C 13 31.912 0.000 . 1 . . . A 156 MET CB . 25685 1 638 . 1 1 166 166 MET N N 15 118.853 0.072 . 1 . . . A 156 MET N . 25685 1 639 . 1 1 167 167 GLY H H 1 8.614 0.008 . 1 . . . A 157 GLY H . 25685 1 640 . 1 1 167 167 GLY C C 13 174.637 0.019 . 1 . . . A 157 GLY C . 25685 1 641 . 1 1 167 167 GLY CA C 13 47.204 0.011 . 1 . . . A 157 GLY CA . 25685 1 642 . 1 1 167 167 GLY N N 15 108.239 0.076 . 1 . . . A 157 GLY N . 25685 1 643 . 1 1 168 168 GLU H H 1 8.550 0.006 . 1 . . . A 158 GLU H . 25685 1 644 . 1 1 168 168 GLU C C 13 177.851 0.026 . 1 . . . A 158 GLU C . 25685 1 645 . 1 1 168 168 GLU CA C 13 60.203 0.025 . 1 . . . A 158 GLU CA . 25685 1 646 . 1 1 168 168 GLU CB C 13 28.870 0.000 . 1 . . . A 158 GLU CB . 25685 1 647 . 1 1 168 168 GLU N N 15 122.902 0.038 . 1 . . . A 158 GLU N . 25685 1 648 . 1 1 169 169 LYS H H 1 7.641 0.017 . 1 . . . A 159 LYS H . 25685 1 649 . 1 1 169 169 LYS C C 13 179.529 0.018 . 1 . . . A 159 LYS C . 25685 1 650 . 1 1 169 169 LYS CA C 13 59.419 0.058 . 1 . . . A 159 LYS CA . 25685 1 651 . 1 1 169 169 LYS CB C 13 31.759 0.000 . 1 . . . A 159 LYS CB . 25685 1 652 . 1 1 169 169 LYS N N 15 117.932 0.038 . 1 . . . A 159 LYS N . 25685 1 653 . 1 1 170 170 PHE H H 1 8.026 0.007 . 1 . . . A 160 PHE H . 25685 1 654 . 1 1 170 170 PHE C C 13 178.511 0.000 . 1 . . . A 160 PHE C . 25685 1 655 . 1 1 170 170 PHE CA C 13 61.580 0.025 . 1 . . . A 160 PHE CA . 25685 1 656 . 1 1 170 170 PHE CB C 13 39.909 0.000 . 1 . . . A 160 PHE CB . 25685 1 657 . 1 1 170 170 PHE N N 15 120.614 0.044 . 1 . . . A 160 PHE N . 25685 1 658 . 1 1 171 171 VAL H H 1 8.628 0.007 . 1 . . . A 161 VAL H . 25685 1 659 . 1 1 171 171 VAL C C 13 177.347 0.015 . 1 . . . A 161 VAL C . 25685 1 660 . 1 1 171 171 VAL CA C 13 66.121 0.062 . 1 . . . A 161 VAL CA . 25685 1 661 . 1 1 171 171 VAL CB C 13 30.935 0.000 . 1 . . . A 161 VAL CB . 25685 1 662 . 1 1 171 171 VAL N N 15 119.870 0.049 . 1 . . . A 161 VAL N . 25685 1 663 . 1 1 172 172 LYS H H 1 7.843 0.017 . 1 . . . A 162 LYS H . 25685 1 664 . 1 1 172 172 LYS C C 13 179.197 0.012 . 1 . . . A 162 LYS C . 25685 1 665 . 1 1 172 172 LYS CA C 13 60.037 0.034 . 1 . . . A 162 LYS CA . 25685 1 666 . 1 1 172 172 LYS CB C 13 31.333 0.000 . 1 . . . A 162 LYS CB . 25685 1 667 . 1 1 172 172 LYS N N 15 116.237 0.035 . 1 . . . A 162 LYS N . 25685 1 668 . 1 1 173 173 ALA H H 1 7.630 0.004 . 1 . . . A 163 ALA H . 25685 1 669 . 1 1 173 173 ALA C C 13 178.635 0.004 . 1 . . . A 163 ALA C . 25685 1 670 . 1 1 173 173 ALA CA C 13 53.681 0.029 . 1 . . . A 163 ALA CA . 25685 1 671 . 1 1 173 173 ALA CB C 13 19.586 0.000 . 1 . . . A 163 ALA CB . 25685 1 672 . 1 1 173 173 ALA N N 15 119.197 0.040 . 1 . . . A 163 ALA N . 25685 1 673 . 1 1 174 174 ASN H H 1 7.326 0.007 . 1 . . . A 164 ASN H . 25685 1 674 . 1 1 174 174 ASN C C 13 175.556 0.009 . 1 . . . A 164 ASN C . 25685 1 675 . 1 1 174 174 ASN CA C 13 52.267 0.015 . 1 . . . A 164 ASN CA . 25685 1 676 . 1 1 174 174 ASN CB C 13 39.148 0.000 . 1 . . . A 164 ASN CB . 25685 1 677 . 1 1 174 174 ASN N N 15 115.956 0.035 . 1 . . . A 164 ASN N . 25685 1 678 . 1 1 175 175 PHE H H 1 7.408 0.007 . 1 . . . A 165 PHE H . 25685 1 679 . 1 1 175 175 PHE C C 13 177.069 0.010 . 1 . . . A 165 PHE C . 25685 1 680 . 1 1 175 175 PHE CA C 13 62.921 0.038 . 1 . . . A 165 PHE CA . 25685 1 681 . 1 1 175 175 PHE CB C 13 39.427 0.000 . 1 . . . A 165 PHE CB . 25685 1 682 . 1 1 175 175 PHE N N 15 121.612 0.042 . 1 . . . A 165 PHE N . 25685 1 683 . 1 1 176 176 GLN H H 1 8.605 0.008 . 1 . . . A 166 GLN H . 25685 1 684 . 1 1 176 176 GLN C C 13 178.922 0.016 . 1 . . . A 166 GLN C . 25685 1 685 . 1 1 176 176 GLN CA C 13 59.262 0.009 . 1 . . . A 166 GLN CA . 25685 1 686 . 1 1 176 176 GLN CB C 13 26.811 0.000 . 1 . . . A 166 GLN CB . 25685 1 687 . 1 1 176 176 GLN N N 15 117.147 0.018 . 1 . . . A 166 GLN N . 25685 1 688 . 1 1 177 177 LEU H H 1 7.892 0.012 . 1 . . . A 167 LEU H . 25685 1 689 . 1 1 177 177 LEU C C 13 178.863 0.029 . 1 . . . A 167 LEU C . 25685 1 690 . 1 1 177 177 LEU CA C 13 58.039 0.002 . 1 . . . A 167 LEU CA . 25685 1 691 . 1 1 177 177 LEU CB C 13 41.130 0.110 . 1 . . . A 167 LEU CB . 25685 1 692 . 1 1 177 177 LEU N N 15 121.946 0.046 . 1 . . . A 167 LEU N . 25685 1 693 . 1 1 178 178 ILE H H 1 8.065 0.003 . 1 . . . A 168 ILE H . 25685 1 694 . 1 1 178 178 ILE C C 13 179.908 0.002 . 1 . . . A 168 ILE C . 25685 1 695 . 1 1 178 178 ILE CA C 13 63.886 0.052 . 1 . . . A 168 ILE CA . 25685 1 696 . 1 1 178 178 ILE CB C 13 36.170 0.000 . 1 . . . A 168 ILE CB . 25685 1 697 . 1 1 178 178 ILE N N 15 118.751 0.031 . 1 . . . A 168 ILE N . 25685 1 698 . 1 1 179 179 ARG H H 1 8.995 0.010 . 1 . . . A 169 ARG H . 25685 1 699 . 1 1 179 179 ARG C C 13 177.579 0.000 . 1 . . . A 169 ARG C . 25685 1 700 . 1 1 179 179 ARG CA C 13 60.306 0.030 . 1 . . . A 169 ARG CA . 25685 1 701 . 1 1 179 179 ARG CB C 13 29.224 0.000 . 1 . . . A 169 ARG CB . 25685 1 702 . 1 1 179 179 ARG N N 15 125.851 0.055 . 1 . . . A 169 ARG N . 25685 1 703 . 1 1 180 180 LYS H H 1 7.663 0.005 . 1 . . . A 170 LYS H . 25685 1 704 . 1 1 180 180 LYS C C 13 178.584 0.042 . 1 . . . A 170 LYS C . 25685 1 705 . 1 1 180 180 LYS CA C 13 60.293 0.036 . 1 . . . A 170 LYS CA . 25685 1 706 . 1 1 180 180 LYS CB C 13 32.530 0.000 . 1 . . . A 170 LYS CB . 25685 1 707 . 1 1 180 180 LYS N N 15 119.586 0.035 . 1 . . . A 170 LYS N . 25685 1 708 . 1 1 181 181 VAL H H 1 8.515 0.008 . 1 . . . A 171 VAL H . 25685 1 709 . 1 1 181 181 VAL C C 13 177.478 0.023 . 1 . . . A 171 VAL C . 25685 1 710 . 1 1 181 181 VAL CA C 13 66.641 0.000 . 1 . . . A 171 VAL CA . 25685 1 711 . 1 1 181 181 VAL CB C 13 31.565 0.000 . 1 . . . A 171 VAL CB . 25685 1 712 . 1 1 181 181 VAL N N 15 118.348 0.027 . 1 . . . A 171 VAL N . 25685 1 713 . 1 1 182 182 THR H H 1 8.416 0.000 . 1 . . . A 172 THR H . 25685 1 714 . 1 1 182 182 THR C C 13 176.320 0.000 . 1 . . . A 172 THR C . 25685 1 715 . 1 1 182 182 THR N N 15 115.172 0.005 . 1 . . . A 172 THR N . 25685 1 716 . 1 1 183 183 GLY H H 1 8.505 0.010 . 1 . . . A 173 GLY H . 25685 1 717 . 1 1 183 183 GLY C C 13 174.138 0.005 . 1 . . . A 173 GLY C . 25685 1 718 . 1 1 183 183 GLY CA C 13 47.769 0.046 . 1 . . . A 173 GLY CA . 25685 1 719 . 1 1 183 183 GLY N N 15 108.801 0.034 . 1 . . . A 173 GLY N . 25685 1 720 . 1 1 184 184 ALA H H 1 8.038 0.010 . 1 . . . A 174 ALA H . 25685 1 721 . 1 1 184 184 ALA C C 13 178.782 0.031 . 1 . . . A 174 ALA C . 25685 1 722 . 1 1 184 184 ALA CA C 13 55.604 0.049 . 1 . . . A 174 ALA CA . 25685 1 723 . 1 1 184 184 ALA CB C 13 18.778 0.000 . 1 . . . A 174 ALA CB . 25685 1 724 . 1 1 184 184 ALA N N 15 123.573 0.028 . 1 . . . A 174 ALA N . 25685 1 725 . 1 1 185 185 ILE H H 1 7.897 0.004 . 1 . . . A 175 ILE H . 25685 1 726 . 1 1 185 185 ILE C C 13 178.247 0.002 . 1 . . . A 175 ILE C . 25685 1 727 . 1 1 185 185 ILE CA C 13 65.412 0.005 . 1 . . . A 175 ILE CA . 25685 1 728 . 1 1 185 185 ILE CB C 13 37.671 0.000 . 1 . . . A 175 ILE CB . 25685 1 729 . 1 1 185 185 ILE N N 15 118.501 0.026 . 1 . . . A 175 ILE N . 25685 1 730 . 1 1 186 186 VAL H H 1 8.321 0.013 . 1 . . . A 176 VAL H . 25685 1 731 . 1 1 186 186 VAL C C 13 177.945 0.018 . 1 . . . A 176 VAL C . 25685 1 732 . 1 1 186 186 VAL CA C 13 67.761 0.030 . 1 . . . A 176 VAL CA . 25685 1 733 . 1 1 186 186 VAL CB C 13 30.662 0.000 . 1 . . . A 176 VAL CB . 25685 1 734 . 1 1 186 186 VAL N N 15 120.104 0.043 . 1 . . . A 176 VAL N . 25685 1 735 . 1 1 187 187 LEU H H 1 8.097 0.003 . 1 . . . A 177 LEU H . 25685 1 736 . 1 1 187 187 LEU C C 13 178.563 0.002 . 1 . . . A 177 LEU C . 25685 1 737 . 1 1 187 187 LEU CA C 13 58.094 0.030 . 1 . . . A 177 LEU CA . 25685 1 738 . 1 1 187 187 LEU CB C 13 41.061 0.000 . 1 . . . A 177 LEU CB . 25685 1 739 . 1 1 187 187 LEU N N 15 118.561 0.023 . 1 . . . A 177 LEU N . 25685 1 740 . 1 1 188 188 LEU H H 1 8.229 0.005 . 1 . . . A 178 LEU H . 25685 1 741 . 1 1 188 188 LEU C C 13 178.524 0.003 . 1 . . . A 178 LEU C . 25685 1 742 . 1 1 188 188 LEU CA C 13 57.767 0.031 . 1 . . . A 178 LEU CA . 25685 1 743 . 1 1 188 188 LEU CB C 13 40.886 0.000 . 1 . . . A 178 LEU CB . 25685 1 744 . 1 1 188 188 LEU N N 15 120.868 0.041 . 1 . . . A 178 LEU N . 25685 1 745 . 1 1 189 189 TYR H H 1 8.759 0.007 . 1 . . . A 179 TYR H . 25685 1 746 . 1 1 189 189 TYR C C 13 180.059 0.021 . 1 . . . A 179 TYR C . 25685 1 747 . 1 1 189 189 TYR CA C 13 63.844 0.021 . 1 . . . A 179 TYR CA . 25685 1 748 . 1 1 189 189 TYR CB C 13 39.508 0.000 . 1 . . . A 179 TYR CB . 25685 1 749 . 1 1 189 189 TYR N N 15 119.355 0.058 . 1 . . . A 179 TYR N . 25685 1 750 . 1 1 190 190 LEU H H 1 8.315 0.005 . 1 . . . A 180 LEU H . 25685 1 751 . 1 1 190 190 LEU C C 13 179.079 0.017 . 1 . . . A 180 LEU C . 25685 1 752 . 1 1 190 190 LEU CA C 13 58.879 0.020 . 1 . . . A 180 LEU CA . 25685 1 753 . 1 1 190 190 LEU CB C 13 41.899 0.000 . 1 . . . A 180 LEU CB . 25685 1 754 . 1 1 190 190 LEU N N 15 118.984 0.044 . 1 . . . A 180 LEU N . 25685 1 755 . 1 1 191 191 ALA H H 1 8.480 0.007 . 1 . . . A 181 ALA H . 25685 1 756 . 1 1 191 191 ALA C C 13 180.009 0.017 . 1 . . . A 181 ALA C . 25685 1 757 . 1 1 191 191 ALA CA C 13 55.700 0.031 . 1 . . . A 181 ALA CA . 25685 1 758 . 1 1 191 191 ALA CB C 13 17.713 0.000 . 1 . . . A 181 ALA CB . 25685 1 759 . 1 1 191 191 ALA N N 15 121.826 0.043 . 1 . . . A 181 ALA N . 25685 1 760 . 1 1 192 192 TYR H H 1 8.856 0.006 . 1 . . . A 182 TYR H . 25685 1 761 . 1 1 192 192 TYR CA C 13 59.038 0.048 . 1 . . . A 182 TYR CA . 25685 1 762 . 1 1 192 192 TYR N N 15 118.039 0.032 . 1 . . . A 182 TYR N . 25685 1 763 . 1 1 193 193 PHE H H 1 9.764 0.012 . 1 . . . A 183 PHE H . 25685 1 764 . 1 1 193 193 PHE CA C 13 63.566 0.000 . 1 . . . A 183 PHE CA . 25685 1 765 . 1 1 193 193 PHE N N 15 124.769 0.057 . 1 . . . A 183 PHE N . 25685 1 stop_ save_